N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide

C19H25N3O4 — CID 110165047

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)nn2C)cc1
InChIInChI=1S/C19H25N3O4/c1-21(15-5-4-6-17(23)18(15)24)19(25)14-11-16(22(2)20-14)12-7-9-13(26-3)10-8-12/h7-11,15,17-18,23-24H,4-6H2,1-3H3/t15-,17-,18-/m1/s1
InChIKeyGUNLOPAPMOMZMK-KBAYOESNSA-N
MW359.43 g/mol
LogP1.44
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 110165047) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID110165047
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)nn2C)cc1
InChIInChI=1S/C19H25N3O4/c1-21(15-5-4-6-17(23)18(15)24)19(25)14-11-16(22(2)20-14)12-7-9-13(26-3)10-8-12/h7-11,15,17-18,23-24H,4-6H2,1-3H3/t15-,17-,18-/m1/s1
InChIKeyGUNLOPAPMOMZMK-KBAYOESNSA-N
XLogP1.44
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide (CID 110165047) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)nn2C)cc1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GUNLOPAPMOMZMK-KBAYOESNSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-21(15-5-4-6-17(23)18(15)24)19(25)14-11-16(22(2)20-14)12-7-9-13(26-3)10-8-12/h7-11,15,17-18,23-24H,4-6H2,1-3H3/t15-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110165047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).