5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide

C18H23ClN4O2 — CID 168510549

IUPAC5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)nn2C)c(Cl)c1
InChIInChI=1S/C18H23ClN4O2/c1-22-8-4-5-12(11-22)20-18(24)16-10-17(23(2)21-16)14-7-6-13(25-3)9-15(14)19/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyQLOHOGRMRUDDPM-LBPRGKRZSA-N
MW362.86 g/mol
LogP2.57
Rot. Bonds4

About 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide

5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 168510549) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide
PubChem CID168510549
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)nn2C)c(Cl)c1
InChIInChI=1S/C18H23ClN4O2/c1-22-8-4-5-12(11-22)20-18(24)16-10-17(23(2)21-16)14-7-6-13(25-3)9-15(14)19/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyQLOHOGRMRUDDPM-LBPRGKRZSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide (CID 168510549) is 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)nn2C)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is QLOHOGRMRUDDPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-22-8-4-5-12(11-22)20-18(24)16-10-17(23(2)21-16)14-7-6-13(25-3)9-15(14)19/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide?
5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-1-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 168510549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).