N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide

C14H23N3O2 — CID 110875727

IUPACN,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2(C)CCOCC2)nn1C
InChIInChI=1S/C14H23N3O2/c1-11-9-12(15-17(11)4)13(18)16(3)10-14(2)5-7-19-8-6-14/h9H,5-8,10H2,1-4H3
InChIKeyKCOXKTRYRYHZDD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.62
Rot. Bonds3

About N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide

N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 110875727) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID110875727
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2(C)CCOCC2)nn1C
InChIInChI=1S/C14H23N3O2/c1-11-9-12(15-17(11)4)13(18)16(3)10-14(2)5-7-19-8-6-14/h9H,5-8,10H2,1-4H3
InChIKeyKCOXKTRYRYHZDD-UHFFFAOYSA-N
XLogP1.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-piperidinecarboxylate
CID 2813428
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
Ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50983985
1,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
CID 53501184
1-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-5-methylpyrazole-3-carboxamide
CID 56797009
(1R*,3S*)-3-ethoxy-7-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-7-azaspiro[3.5]nonan-1-ol
CID 70721992
(3R*,4R*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-4-ethylpiperidine-3,4-diol
CID 70726104
(3R*,4S*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-3,4-dimethylpiperidin-4-ol
CID 70755394
(4S*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-3,3,4-trimethylpiperidin-4-ol
CID 70779114
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 71686919
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-methyl-N~1~-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 71686933

Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide (CID 110875727) is N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2(C)CCOCC2)nn1C.
What is the InChIKey of N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is KCOXKTRYRYHZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-9-12(15-17(11)4)13(18)16(3)10-14(2)5-7-19-8-6-14/h9H,5-8,10H2,1-4H3.
What are the key properties of N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).