(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone

C14H18N6O — CID 130187588

IUPAC(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1
InChIInChI=1S/C14H18N6O/c1-12-6-17-20(9-12)14(21)19-4-2-18(3-5-19)10-13-7-15-11-16-8-13/h6-9,11H,2-5,10H2,1H3
InChIKeyTXKVJBJVFDQVIW-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.77
Rot. Bonds2

About (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone

(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 130187588) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID130187588
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1
InChIInChI=1S/C14H18N6O/c1-12-6-17-20(9-12)14(21)19-4-2-18(3-5-19)10-13-7-15-11-16-8-13/h6-9,11H,2-5,10H2,1H3
InChIKeyTXKVJBJVFDQVIW-UHFFFAOYSA-N
XLogP0.77
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615
azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526425
(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526605
[4-(4-methylpyrazole-1-carbonyl)piperazin-1-yl]methanesulfinic acid
CID 130187539
(4-methylpyrazol-1-yl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 130187640
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 145315932
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-methylpyrazole-4-carboxamide
CID 118526909
2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
CID 123301378
[2-[(3,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 145315914
(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
CID 145315981

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone (CID 130187588) is (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone is Cc1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is TXKVJBJVFDQVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-12-6-17-20(9-12)14(21)19-4-2-18(3-5-19)10-13-7-15-11-16-8-13/h6-9,11H,2-5,10H2,1H3.
What are the key properties of (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 286.34 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 130187588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).