N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide

C13H22N4O — CID 113433645

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2n[nH]c(C)c2C)CCNC1
InChIInChI=1S/C13H22N4O/c1-4-5-13(6-7-14-8-13)12(18)15-11-9(2)10(3)16-17-11/h14H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHEMRRVURFFPCFV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.74
Rot. Bonds4

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 113433645) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID113433645
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2n[nH]c(C)c2C)CCNC1
InChIInChI=1S/C13H22N4O/c1-4-5-13(6-7-14-8-13)12(18)15-11-9(2)10(3)16-17-11/h14H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHEMRRVURFFPCFV-UHFFFAOYSA-N
XLogP1.74
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide
CID 113433636
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-ethylpiperidine-4-carboxamide
CID 104618838
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpiperidine-3-carboxamide
CID 104618888
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 63139454
N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 65488896
N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
CID 103094157
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide (CID 113433645) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2n[nH]c(C)c2C)CCNC1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is HEMRRVURFFPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-13(6-7-14-8-13)12(18)15-11-9(2)10(3)16-17-11/h14H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113433645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).