1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide

C20H22ClN5O — CID 24768460

IUPAC1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)22-26(17-9-7-16(21)8-10-17)20(15)24-11-5-6-12-24/h5-12H,2-4,13-14H2,1H3,(H,23,27)
InChIKeyQVRBOJREASCNET-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.76
Rot. Bonds4

About 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide

1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 24768460) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID24768460
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)22-26(17-9-7-16(21)8-10-17)20(15)24-11-5-6-12-24/h5-12H,2-4,13-14H2,1H3,(H,23,27)
InChIKeyQVRBOJREASCNET-UHFFFAOYSA-N
XLogP3.76
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 24768460) is 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is QVRBOJREASCNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)22-26(17-9-7-16(21)8-10-17)20(15)24-11-5-6-12-24/h5-12H,2-4,13-14H2,1H3,(H,23,27).
What are the key properties of 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 24768460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).