3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide

C10H10ClN5O — CID 35322188

IUPAC3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ncccn1
InChIInChI=1S/C10H10ClN5O/c11-8-6-14-16(7-8)5-2-9(17)15-10-12-3-1-4-13-10/h1,3-4,6-7H,2,5H2,(H,12,13,15,17)
InChIKeyKXBDMZIDBJRIHS-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.36
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide

3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide (PubChem CID 35322188) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide
PubChem CID35322188
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1ncccn1
InChIInChI=1S/C10H10ClN5O/c11-8-6-14-16(7-8)5-2-9(17)15-10-12-3-1-4-13-10/h1,3-4,6-7H,2,5H2,(H,12,13,15,17)
InChIKeyKXBDMZIDBJRIHS-UHFFFAOYSA-N
XLogP1.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
CID 134134239
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide
CID 71805365
2-Acetylamino-1,2,4-triazolo[1,5-a]pyrimidine
CID 117884751
3-[3-[(5-Bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide
CID 56792203
N-(1-methyl-1H-pyrazol-3-yl)-N~3~-pyrimidin-2-yl-beta-alaninamide
CID 71706593
2-(3-pyrazol-1-ylbutan-2-ylamino)-N-pyrimidin-2-ylpropanamide
CID 72139752
2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide
CID 166430988
n4-(3-(1h-Pyrazol-1-yl)propyl)-6-chloropyrimidine-2,4-diamine
CID 37621292
5-Chloro-2-pyrazol-1-ylpyrimidine
CID 18174927
2-Chloro-N-(2,6-di-pyrazol-1-yl-pyrimidin-4-yl)-acetamide
CID 24822604
N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide
CID 25210250
2-([1,2,4]Triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 57105472

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide (CID 35322188) is 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide is O=C(CCn1cc(Cl)cn1)Nc1ncccn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is KXBDMZIDBJRIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-8-6-14-16(7-8)5-2-9(17)15-10-12-3-1-4-13-10/h1,3-4,6-7H,2,5H2,(H,12,13,15,17).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide?
3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 251.68 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 35322188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).