N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide

C19H22N6O2 — CID 146113906

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1-c1ccc(C(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)cc1
InChIInChI=1S/C19H22N6O2/c1-24-18(20-12-22-24)14-3-5-15(6-4-14)19(27)23-16-9-13(10-17(16)26)11-25-8-2-7-21-25/h2-8,12-13,16-17,26H,9-11H2,1H3,(H,23,27)/t13?,16-,17-/m1/s1
InChIKeyQDHNOGFSKQTYOM-SYFTWWQRSA-N
MW366.43 g/mol
LogP1.25
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 146113906) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID146113906
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1-c1ccc(C(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)cc1
InChIInChI=1S/C19H22N6O2/c1-24-18(20-12-22-24)14-3-5-15(6-4-14)19(27)23-16-9-13(10-17(16)26)11-25-8-2-7-21-25/h2-8,12-13,16-17,26H,9-11H2,1H3,(H,23,27)/t13?,16-,17-/m1/s1
InChIKeyQDHNOGFSKQTYOM-SYFTWWQRSA-N
XLogP1.25
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 146113906) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cn1ncnc1-c1ccc(C(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)cc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is QDHNOGFSKQTYOM-SYFTWWQRSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24-18(20-12-22-24)14-3-5-15(6-4-14)19(27)23-16-9-13(10-17(16)26)11-25-8-2-7-21-25/h2-8,12-13,16-17,26H,9-11H2,1H3,(H,23,27)/t13?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 366.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 146113906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).