2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide

C7H13N5O — CID 103256769

IUPAC2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCn1cc(NCC(N)C(N)=O)cn1
InChIInChI=1S/C7H13N5O/c1-12-4-5(2-11-12)10-3-6(8)7(9)13/h2,4,6,10H,3,8H2,1H3,(H2,9,13)
InChIKeyGYEIHIVTYFJKPI-UHFFFAOYSA-N
MW183.22 g/mol
LogP-1.36
Rot. Bonds4

About 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide

2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide (PubChem CID 103256769) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide
PubChem CID103256769
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCn1cc(NCC(N)C(N)=O)cn1
InChIInChI=1S/C7H13N5O/c1-12-4-5(2-11-12)10-3-6(8)7(9)13/h2,4,6,10H,3,8H2,1H3,(H2,9,13)
InChIKeyGYEIHIVTYFJKPI-UHFFFAOYSA-N
XLogP-1.36
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
CID 114493356
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
1-(furan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79770661
1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
CID 79771007
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide?
The IUPAC name of 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide (CID 103256769) is 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide is Cn1cc(NCC(N)C(N)=O)cn1.
What is the InChIKey of 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide?
The InChIKey is GYEIHIVTYFJKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12-4-5(2-11-12)10-3-6(8)7(9)13/h2,4,6,10H,3,8H2,1H3,(H2,9,13).
What are the key properties of 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide?
2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide has a molecular weight of 183.22 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 103256769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).