N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C15H25N9O2 — CID 133112033

IUPACN-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(C)C(=O)N1C[C@@H](NC(=O)C2CNNC2n2cnnn2)[C@H](C2CC2)C1
InChIInChI=1S/C15H25N9O2/c1-22(2)15(26)23-6-11(9-3-4-9)12(7-23)18-14(25)10-5-16-19-13(10)24-8-17-20-21-24/h8-13,16,19H,3-7H2,1-2H3,(H,18,25)/t10?,11-,12+,13?/m0/s1
InChIKeyPHNXCUQLHVEPPK-CMOBGSAGSA-N
MW363.43 g/mol
LogP-1.60
Rot. Bonds4

About N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 133112033) has the molecular formula C15H25N9O2 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID133112033
Molecular FormulaC15H25N9O2
Molecular Weight363.43 g/mol
Exact Mass363.21
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(C)C(=O)N1C[C@@H](NC(=O)C2CNNC2n2cnnn2)[C@H](C2CC2)C1
InChIInChI=1S/C15H25N9O2/c1-22(2)15(26)23-6-11(9-3-4-9)12(7-23)18-14(25)10-5-16-19-13(10)24-8-17-20-21-24/h8-13,16,19H,3-7H2,1-2H3,(H,18,25)/t10?,11-,12+,13?/m0/s1
InChIKeyPHNXCUQLHVEPPK-CMOBGSAGSA-N
XLogP-1.60
TPSA120.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 133112033) is N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CN(C)C(=O)N1C[C@@H](NC(=O)C2CNNC2n2cnnn2)[C@H](C2CC2)C1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is PHNXCUQLHVEPPK-CMOBGSAGSA-N. The full InChI is InChI=1S/C15H25N9O2/c1-22(2)15(26)23-6-11(9-3-4-9)12(7-23)18-14(25)10-5-16-19-13(10)24-8-17-20-21-24/h8-13,16,19H,3-7H2,1-2H3,(H,18,25)/t10?,11-,12+,13?/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 363.43 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 133112033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).