(2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C13H16N6O — CID 4770296

IUPAC(2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H16N6O/c1-17-11(3-6-16-17)12(20)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3
InChIKeyAMUWEFTTYMNCGB-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.17
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 4770296) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID4770296
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H16N6O/c1-17-11(3-6-16-17)12(20)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3
InChIKeyAMUWEFTTYMNCGB-UHFFFAOYSA-N
XLogP0.17
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548292
(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
2-{4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinyl}pyrimidine
CID 4769678
(4-Chloro-1-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-yl-piperazin-1-yl)-methanone
CID 653135
2-(2-iodo-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518398
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906482
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
(4-Methylpyrimidin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561207
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 4770296) is (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cn1nccc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AMUWEFTTYMNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-17-11(3-6-16-17)12(20)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 4770296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).