(1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol

C19H24N6O — CID 167745983

IUPAC(1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCc1nc([C@H]2C[C@H](CNCc3ccn(-c4ccccc4)n3)[C@H](O)C2)n[nH]1
InChIInChI=1S/C19H24N6O/c1-13-21-19(23-22-13)14-9-15(18(26)10-14)11-20-12-16-7-8-25(24-16)17-5-3-2-4-6-17/h2-8,14-15,18,20,26H,9-12H2,1H3,(H,21,22,23)/t14-,15+,18+/m0/s1
InChIKeyHZBITWHULHBNNV-HDMKZQKVSA-N
MW352.44 g/mol
LogP1.94
Rot. Bonds6

About (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol

(1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 167745983) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID167745983
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCc1nc([C@H]2C[C@H](CNCc3ccn(-c4ccccc4)n3)[C@H](O)C2)n[nH]1
InChIInChI=1S/C19H24N6O/c1-13-21-19(23-22-13)14-9-15(18(26)10-14)11-20-12-16-7-8-25(24-16)17-5-3-2-4-6-17/h2-8,14-15,18,20,26H,9-12H2,1H3,(H,21,22,23)/t14-,15+,18+/m0/s1
InChIKeyHZBITWHULHBNNV-HDMKZQKVSA-N
XLogP1.94
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 167971094
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3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine
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2-methyl-3-[(1-phenylpyrazol-3-yl)methylamino]butan-1-ol
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4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol (CID 167745983) is (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol is Cc1nc([C@H]2C[C@H](CNCc3ccn(-c4ccccc4)n3)[C@H](O)C2)n[nH]1.
What is the InChIKey of (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is HZBITWHULHBNNV-HDMKZQKVSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-21-19(23-22-13)14-9-15(18(26)10-14)11-20-12-16-7-8-25(24-16)17-5-3-2-4-6-17/h2-8,14-15,18,20,26H,9-12H2,1H3,(H,21,22,23)/t14-,15+,18+/m0/s1.
What are the key properties of (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol?
(1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 352.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 167745983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).