5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

C22H34ClN5O2 — CID 166083436

IUPAC5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCCn1nc(-c2cc(C)on2)c(C(=O)NCC2CCN(CCC(C)(C)C)CC2)c1Cl
InChIInChI=1S/C22H34ClN5O2/c1-6-28-20(23)18(19(25-28)17-13-15(2)30-26-17)21(29)24-14-16-7-10-27(11-8-16)12-9-22(3,4)5/h13,16H,6-12,14H2,1-5H3,(H,24,29)
InChIKeyWZAPVUQSABVPPJ-UHFFFAOYSA-N
MW436.00 g/mol
LogP4.40
Rot. Bonds7

About 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (PubChem CID 166083436) has the molecular formula C22H34ClN5O2 and a molecular weight of 436.00 g/mol. Its IUPAC name is 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
PubChem CID166083436
Molecular FormulaC22H34ClN5O2
Molecular Weight436.00 g/mol
Exact Mass435.24
IUPAC Name5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCCn1nc(-c2cc(C)on2)c(C(=O)NCC2CCN(CCC(C)(C)C)CC2)c1Cl
InChIInChI=1S/C22H34ClN5O2/c1-6-28-20(23)18(19(25-28)17-13-15(2)30-26-17)21(29)24-14-16-7-10-27(11-8-16)12-9-22(3,4)5/h13,16H,6-12,14H2,1-5H3,(H,24,29)
InChIKeyWZAPVUQSABVPPJ-UHFFFAOYSA-N
XLogP4.40
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine
CID 166083433
[5-chloro-1-ethyl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazol-4-yl]-[9-(3,3-dimethylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 166083470
3-[5-chloro-4-[[9-(3,3-dimethylbutyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083536
3-[5-chloro-4-[[2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083687
5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 175625666
N-benzyl-1-[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 166083533
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
3-[5-chloro-4-[[(5R)-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083572
N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 71517047
N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131910543
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
5-chloro-3-(5-methyl-1,2-oxazol-3-yl)-1-propylpyrazole-4-carbaldehyde
CID 166083367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (CID 166083436) is 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is CCn1nc(-c2cc(C)on2)c(C(=O)NCC2CCN(CCC(C)(C)C)CC2)c1Cl.
What is the InChIKey of 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is WZAPVUQSABVPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN5O2/c1-6-28-20(23)18(19(25-28)17-13-15(2)30-26-17)21(29)24-14-16-7-10-27(11-8-16)12-9-22(3,4)5/h13,16H,6-12,14H2,1-5H3,(H,24,29).
What are the key properties of 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 436.00 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 166083436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).