N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

C10H18N4O — CID 65191454

IUPACN-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(CN)C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)9(4-11)13-10(15)8-5-12-14-7(8)3/h5-6,9H,4,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyLRMMCXMULZGIMT-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.43
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 65191454) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID65191454
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(CN)C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)9(4-11)13-10(15)8-5-12-14-7(8)3/h5-6,9H,4,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyLRMMCXMULZGIMT-UHFFFAOYSA-N
XLogP0.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-4-methylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106354631
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106357237
N-(1-bromopropan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114310722
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042436
N-(1-chloro-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114301001
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 129032601
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 65191454) is N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC(CN)C(C)C.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LRMMCXMULZGIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)9(4-11)13-10(15)8-5-12-14-7(8)3/h5-6,9H,4,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 65191454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).