N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C13H22N4O — CID 119565030

IUPACN-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2(CN)CCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)10-7-11(17-16-10)12(18)15-13(8-14)5-3-4-6-13/h7,9H,3-6,8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIIHFVAUAVUEAAJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.53
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 119565030) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID119565030
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2(CN)CCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)10-7-11(17-16-10)12(18)15-13(8-14)5-3-4-6-13/h7,9H,3-6,8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIIHFVAUAVUEAAJ-UHFFFAOYSA-N
XLogP1.53
TPSA83.80 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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 119565030) is N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC2(CN)CCCC2)n[nH]1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is IIHFVAUAVUEAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)10-7-11(17-16-10)12(18)15-13(8-14)5-3-4-6-13/h7,9H,3-6,8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119565030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).