N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C14H27N9O — CID 133266877

IUPACN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(CC1CC(C(C)(C)C)NN1)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C14H27N9O/c1-14(2,3)11-5-9(17-18-11)7-22(4)13(24)10-6-15-19-12(10)23-8-16-20-21-23/h8-12,15,17-19H,5-7H2,1-4H3
InChIKeyYVRWLRBJVNYMKC-UHFFFAOYSA-N
MW337.43 g/mol
LogP-1.36
Rot. Bonds4

About N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 133266877) has the molecular formula C14H27N9O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID133266877
Molecular FormulaC14H27N9O
Molecular Weight337.43 g/mol
Exact Mass337.23
IUPAC NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(CC1CC(C(C)(C)C)NN1)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C14H27N9O/c1-14(2,3)11-5-9(17-18-11)7-22(4)13(24)10-6-15-19-12(10)23-8-16-20-21-23/h8-12,15,17-19H,5-7H2,1-4H3
InChIKeyYVRWLRBJVNYMKC-UHFFFAOYSA-N
XLogP-1.36
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(3R*,4S*)-4-propyl-1-[3-(1H-tetrazol-1-yl)propanoyl]-3-pyrrolidinamine
CID 72903142
N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 75257011
N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 77853638
2-Ethyl-8-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 77897240
2-[2-(1-pyrrolidinyl)ethyl]-1-{[3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}piperidine
CID 78082796
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 132473092
N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 133112033
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 133118804
N-{(1S*,2R*)-2-[(1-isopropyl-4-piperidinyl)amino]cyclobutyl}-3-(1H-tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 133131875
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidin-3-yl]urea
CID 133135237
(3-Propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
CID 133265772
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
CID 133265795

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 133266877) is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CN(CC1CC(C(C)(C)C)NN1)C(=O)C1CNNC1n1cnnn1.
What is the InChIKey of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is YVRWLRBJVNYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N9O/c1-14(2,3)11-5-9(17-18-11)7-22(4)13(24)10-6-15-19-12(10)23-8-16-20-21-23/h8-12,15,17-19H,5-7H2,1-4H3.
What are the key properties of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of -1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 133266877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).