(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone

C16H20ClN5O — CID 110096144

IUPAC(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCCC(c3ccncn3)C2)n1
InChIInChI=1S/C16H20ClN5O/c1-2-7-22-10-13(17)15(20-22)16(23)21-8-3-4-12(9-21)14-5-6-18-11-19-14/h5-6,10-12H,2-4,7-9H2,1H3
InChIKeyNCMSVWLZNJMSFD-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.76
Rot. Bonds4

About (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone

(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone (PubChem CID 110096144) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
PubChem CID110096144
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCCC(c3ccncn3)C2)n1
InChIInChI=1S/C16H20ClN5O/c1-2-7-22-10-13(17)15(20-22)16(23)21-8-3-4-12(9-21)14-5-6-18-11-19-14/h5-6,10-12H,2-4,7-9H2,1H3
InChIKeyNCMSVWLZNJMSFD-UHFFFAOYSA-N
XLogP2.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270611
6-[1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115171
6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125022204
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95844686
(4-chloro-1-propylpyrazol-3-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125016375
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175
3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(4-chloro-1-propylpyrazol-3-yl)methanone
CID 124990646
[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124964339
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 175652301

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone (CID 110096144) is (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone is CCCn1cc(Cl)c(C(=O)N2CCCC(c3ccncn3)C2)n1.
What is the InChIKey of (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is NCMSVWLZNJMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-2-7-22-10-13(17)15(20-22)16(23)21-8-3-4-12(9-21)14-5-6-18-11-19-14/h5-6,10-12H,2-4,7-9H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 333.82 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-3-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110096144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).