N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide

C13H22N4O — CID 66120497

IUPACN-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC1CCCC1N
InChIInChI=1S/C13H22N4O/c1-3-17-12(7-9(2)16-17)13(18)15-8-10-5-4-6-11(10)14/h7,10-11H,3-6,8,14H2,1-2H3,(H,15,18)
InChIKeyJGKSZSSTNVDKOG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.07
Rot. Bonds4

About N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 66120497) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID66120497
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC1CCCC1N
InChIInChI=1S/C13H22N4O/c1-3-17-12(7-9(2)16-17)13(18)15-8-10-5-4-6-11(10)14/h7,10-11H,3-6,8,14H2,1-2H3,(H,15,18)
InChIKeyJGKSZSSTNVDKOG-UHFFFAOYSA-N
XLogP1.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114307110
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 64928116
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114758986
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 79711180

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 66120497) is N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC1CCCC1N.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is JGKSZSSTNVDKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-12(7-9(2)16-17)13(18)15-8-10-5-4-6-11(10)14/h7,10-11H,3-6,8,14H2,1-2H3,(H,15,18).
What are the key properties of N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66120497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).