4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide

C20H21ClN6O — CID 35651816

IUPAC4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN6O/c21-17-3-1-4-18(14-17)25-9-11-26(12-10-25)20(28)23-15-16-5-7-22-19(13-16)27-8-2-6-24-27/h1-8,13-14H,9-12,15H2,(H,23,28)
InChIKeyPPDVFRBHARDGPJ-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.95
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 35651816) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID35651816
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN6O/c21-17-3-1-4-18(14-17)25-9-11-26(12-10-25)20(28)23-15-16-5-7-22-19(13-16)27-8-2-6-24-27/h1-8,13-14H,9-12,15H2,(H,23,28)
InChIKeyPPDVFRBHARDGPJ-UHFFFAOYSA-N
XLogP2.95
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chlorophenyl)sulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651872
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N'-methyl-4-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 110960657
4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87004175
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 53185924
5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 55690439
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899538
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(2-hydroxyphenyl)-N'-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111184848

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide (CID 35651816) is 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccnc(-n2cccn2)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is PPDVFRBHARDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c21-17-3-1-4-18(14-17)25-9-11-26(12-10-25)20(28)23-15-16-5-7-22-19(13-16)27-8-2-6-24-27/h1-8,13-14H,9-12,15H2,(H,23,28).
What are the key properties of 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 35651816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).