1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one

C8H14N4O — CID 83817137

IUPAC1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one
SMILESCc1[nH]ncc1N(C)CC(=O)CN
InChIInChI=1S/C8H14N4O/c1-6-8(4-10-11-6)12(2)5-7(13)3-9/h4H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyRHIJLBPXWIBECJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.32
Rot. Bonds4

About 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one

1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one (PubChem CID 83817137) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one
PubChem CID83817137
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one
SMILESCc1[nH]ncc1N(C)CC(=O)CN
InChIInChI=1S/C8H14N4O/c1-6-8(4-10-11-6)12(2)5-7(13)3-9/h4H,3,5,9H2,1-2H3,(H,10,11)
InChIKeyRHIJLBPXWIBECJ-UHFFFAOYSA-N
XLogP-0.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid
CID 96613290
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107206762
2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
CID 55123980
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
CID 61021792
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
CID 155388439
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 63997006
N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 62735140

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one?
The IUPAC name of 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one (CID 83817137) is 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one.
What is the SMILES notation for 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one?
The canonical SMILES for 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one is Cc1[nH]ncc1N(C)CC(=O)CN.
What is the InChIKey of 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one?
The InChIKey is RHIJLBPXWIBECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-8(4-10-11-6)12(2)5-7(13)3-9/h4H,3,5,9H2,1-2H3,(H,10,11).
What are the key properties of 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one?
1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one is sourced from PubChem (CID 83817137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).