2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H23N7O — CID 8595710

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H23N7O/c1-12-15(13(2)21(3)20-12)19-14(24)11-22-7-9-23(10-8-22)16-17-5-4-6-18-16/h4-6H,7-11H2,1-3H3,(H,19,24)
InChIKeyKVZGWFMPRFUCJE-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.59
Rot. Bonds4

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 8595710) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID8595710
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H23N7O/c1-12-15(13(2)21(3)20-12)19-14(24)11-22-7-9-23(10-8-22)16-17-5-4-6-18-16/h4-6H,7-11H2,1-3H3,(H,19,24)
InChIKeyKVZGWFMPRFUCJE-UHFFFAOYSA-N
XLogP0.59
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]acetamide
CID 25210255
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 25210257
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-3-(1H-pyrazol-1-yl)pyrazine-2-carboxamide
CID 121416912
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954786
4-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-7,8-dihydro-5H-pteridin-6-one
CID 52104144
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-7,8-dihydro-5H-pteridin-6-one
CID 52105320
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53569004
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 8595710) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KVZGWFMPRFUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12-15(13(2)21(3)20-12)19-14(24)11-22-7-9-23(10-8-22)16-17-5-4-6-18-16/h4-6H,7-11H2,1-3H3,(H,19,24).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 329.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 8595710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).