N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide

C12H20N4O — CID 103123164

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(CN)CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-16-7-4-10(15-16)11(17)14-9-12(8-13)5-2-3-6-12/h4,7H,2-3,5-6,8-9,13H2,1H3,(H,14,17)
InChIKeyWXEPWOPGTHNWEH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.67
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103123164) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
PubChem CID103123164
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(CN)CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-16-7-4-10(15-16)11(17)14-9-12(8-13)5-2-3-6-12/h4,7H,2-3,5-6,8-9,13H2,1H3,(H,14,17)
InChIKeyWXEPWOPGTHNWEH-UHFFFAOYSA-N
XLogP0.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 103121074
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
[1-(dimethylamino)cyclopentyl]-(1-methylpyrazol-3-yl)methanone
CID 103130453
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
CID 115456878
N-[[1-(aminomethyl)cyclobutyl]methyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166253048

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide (CID 103123164) is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCC2(CN)CCCC2)n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is WXEPWOPGTHNWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-7-4-10(15-16)11(17)14-9-12(8-13)5-2-3-6-12/h4,7H,2-3,5-6,8-9,13H2,1H3,(H,14,17).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103123164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).