N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide

C14H24N4O — CID 102811424

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCC1(CN)CCCC1
InChIInChI=1S/C14H24N4O/c1-3-12-11(8-18(2)17-12)13(19)16-10-14(9-15)6-4-5-7-14/h8H,3-7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyLYQGOQIWCKRQRN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.23
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102811424) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102811424
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCC1(CN)CCCC1
InChIInChI=1S/C14H24N4O/c1-3-12-11(8-18(2)17-12)13(19)16-10-14(9-15)6-4-5-7-14/h8H,3-7,9-10,15H2,1-2H3,(H,16,19)
InChIKeyLYQGOQIWCKRQRN-UHFFFAOYSA-N
XLogP1.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291
N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811436
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 113347472
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102811424) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NCC1(CN)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is LYQGOQIWCKRQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-11(8-18(2)17-12)13(19)16-10-14(9-15)6-4-5-7-14/h8H,3-7,9-10,15H2,1-2H3,(H,16,19).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.23, 5 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]-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102811424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).