N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide

C11H14N6O — CID 71706593

IUPACN-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide
SMILESCn1ccc(NC(=O)CCNc2ncccn2)n1
InChIInChI=1S/C11H14N6O/c1-17-8-4-9(16-17)15-10(18)3-7-14-11-12-5-2-6-13-11/h2,4-6,8H,3,7H2,1H3,(H,12,13,14)(H,15,16,18)
InChIKeyUTFUBFFIEWFQQR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.65
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide

N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 71706593) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide
PubChem CID71706593
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide
SMILESCn1ccc(NC(=O)CCNc2ncccn2)n1
InChIInChI=1S/C11H14N6O/c1-17-8-4-9(16-17)15-10(18)3-7-14-11-12-5-2-6-13-11/h2,4-6,8H,3,7H2,1H3,(H,12,13,14)(H,15,16,18)
InChIKeyUTFUBFFIEWFQQR-UHFFFAOYSA-N
XLogP0.65
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
CID 134134239
1-Methyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134141651
N-pyrazolo[1,5-a]pyrimidin-3-ylacetamide
CID 172825317
5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 23400189
N-butan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414545
3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide
CID 35322188
N-Propyl-6-(1H-pyrazol-1-YL)pyrimidin-4-amine
CID 53015218
N-ethyl-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 53015219
1-(3-Pyrazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53551193
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide
CID 71805365
N-(pyrazolo[1,5-a]pyrimidin-6-yl)pivalamide
CID 91629099

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide (CID 71706593) is N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide is Cn1ccc(NC(=O)CCNc2ncccn2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is UTFUBFFIEWFQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-17-8-4-9(16-17)15-10(18)3-7-14-11-12-5-2-6-13-11/h2,4-6,8H,3,7H2,1H3,(H,12,13,14)(H,15,16,18).
What are the key properties of N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide?
N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 246.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 71706593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).