3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride

C9H18Cl2N4O — CID 54592690

IUPAC3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
SMILESCc1n[nH]c(C)c1NC(=O)C(C)CN.Cl.Cl
InChIInChI=1S/C9H16N4O.2ClH/c1-5(4-10)9(14)11-8-6(2)12-13-7(8)3;;/h5H,4,10H2,1-3H3,(H,11,14)(H,12,13);2*1H
InChIKeyMOFQEQVJONAYIP-UHFFFAOYSA-N
MW269.18 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride

3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride (PubChem CID 54592690) has the molecular formula C9H18Cl2N4O and a molecular weight of 269.18 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
PubChem CID54592690
Molecular FormulaC9H18Cl2N4O
Molecular Weight269.18 g/mol
Exact Mass268.09
IUPAC Name3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
SMILESCc1n[nH]c(C)c1NC(=O)C(C)CN.Cl.Cl
InChIInChI=1S/C9H16N4O.2ClH/c1-5(4-10)9(14)11-8-6(2)12-13-7(8)3;;/h5H,4,10H2,1-3H3,(H,11,14)(H,12,13);2*1H
InChIKeyMOFQEQVJONAYIP-UHFFFAOYSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
CID 43546964
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide
CID 93240679
2-cyclopropyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 79506566
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 66229540
methyl 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoate
CID 66113995
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1,1-diethylurea
CID 78951288
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116652982

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride (CID 54592690) is 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride is Cc1n[nH]c(C)c1NC(=O)C(C)CN.Cl.Cl.
What is the InChIKey of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride?
The InChIKey is MOFQEQVJONAYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.2ClH/c1-5(4-10)9(14)11-8-6(2)12-13-7(8)3;;/h5H,4,10H2,1-3H3,(H,11,14)(H,12,13);2*1H.
What are the key properties of 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride?
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride has a molecular weight of 269.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 54592690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).