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

C12H20N4O — CID 102811436

IUPACN-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(CN)CCC1
InChIInChI=1S/C12H20N4O/c1-3-10-9(7-16(2)15-10)11(17)14-12(8-13)5-4-6-12/h7H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyBBFDFMIKTYMVDQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds4

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

N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102811436) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102811436
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(CN)CCC1
InChIInChI=1S/C12H20N4O/c1-3-10-9(7-16(2)15-10)11(17)14-12(8-13)5-4-6-12/h7H,3-6,8,13H2,1-2H3,(H,14,17)
InChIKeyBBFDFMIKTYMVDQ-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424
N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 113347472
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422800
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478
1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291
N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810444
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
N-[1-(aminomethyl)cyclopentyl]-4-ethylthiadiazole-5-carboxamide
CID 65210136
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102811436) is N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC1(CN)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is BBFDFMIKTYMVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-9(7-16(2)15-10)11(17)14-12(8-13)5-4-6-12/h7H,3-6,8,13H2,1-2H3,(H,14,17).
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide?
N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102811436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).