2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

C12H20N4O — CID 82873603

IUPAC2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2CCCC2CN)n1
InChIInChI=1S/C12H20N4O/c1-16-6-5-10(15-16)8-14-12(17)11-4-2-3-9(11)7-13/h5-6,9,11H,2-4,7-8,13H2,1H3,(H,14,17)
InChIKeyLDALXQGPOJQDLK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.41
Rot. Bonds4

About 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 82873603) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID82873603
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2CCCC2CN)n1
InChIInChI=1S/C12H20N4O/c1-16-6-5-10(15-16)8-14-12(17)11-4-2-3-9(11)7-13/h5-6,9,11H,2-4,7-8,13H2,1H3,(H,14,17)
InChIKeyLDALXQGPOJQDLK-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 112669577
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620276
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 114955964
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 113357249
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 82873992

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 82873603) is 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is Cn1ccc(CNC(=O)C2CCCC2CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is LDALXQGPOJQDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-6-5-10(15-16)8-14-12(17)11-4-2-3-9(11)7-13/h5-6,9,11H,2-4,7-8,13H2,1H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 82873603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).