N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C17H31N9O — CID 133131875

IUPACN-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCC(C)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)C2CNNC2n2cnnn2)CC1
InChIInChI=1S/C17H31N9O/c1-11(2)25-7-5-12(6-8-25)20-14-3-4-15(14)21-17(27)13-9-18-22-16(13)26-10-19-23-24-26/h10-16,18,20,22H,3-9H2,1-2H3,(H,21,27)/t13?,14-,15+,16?/m1/s1
InChIKeyCZNVCSBSWACFKT-FYRZTWFESA-N
MW377.50 g/mol
LogP-0.99
Rot. Bonds6

About N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 133131875) has the molecular formula C17H31N9O and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID133131875
Molecular FormulaC17H31N9O
Molecular Weight377.50 g/mol
Exact Mass377.27
IUPAC NameN-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCC(C)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)C2CNNC2n2cnnn2)CC1
InChIInChI=1S/C17H31N9O/c1-11(2)25-7-5-12(6-8-25)20-14-3-4-15(14)21-17(27)13-9-18-22-16(13)26-10-19-23-24-26/h10-16,18,20,22H,3-9H2,1-2H3,(H,21,27)/t13?,14-,15+,16?/m1/s1
InChIKeyCZNVCSBSWACFKT-FYRZTWFESA-N
XLogP-0.99
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 75257011
[4-(Cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
CID 76421338
N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 77853638
2-[2-(1-pyrrolidinyl)ethyl]-1-{[3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}piperidine
CID 78082796
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-[3-(tetrazol-1-yl)pyrazolidine-4-carbonyl]pyrrolidin-3-yl]urea
CID 133135237
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 133266877
(4-Cyclohexylpiperazin-1-yl)-[5-(tetrazol-1-yl)pyrazolidin-3-yl]methanone
CID 133543606
N-[(1-piperidin-1-ylcyclopentyl)methyl]-5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxamide
CID 133545745
[4-(5-Propan-2-ylpyrazolidin-3-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
CID 133693751

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 133131875) is N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CC(C)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)C2CNNC2n2cnnn2)CC1.
What is the InChIKey of N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is CZNVCSBSWACFKT-FYRZTWFESA-N. The full InChI is InChI=1S/C17H31N9O/c1-11(2)25-7-5-12(6-8-25)20-14-3-4-15(14)21-17(27)13-9-18-22-16(13)26-10-19-23-24-26/h10-16,18,20,22H,3-9H2,1-2H3,(H,21,27)/t13?,14-,15+,16?/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 377.50 g/mol, XLogP of -0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(1-propan-2-ylpiperidin-4-yl)amino]cyclobutyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 133131875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).