(1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

C16H21N7O — CID 154767551

IUPAC(1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCc1cc2c(NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)nccn2n1
InChIInChI=1S/C16H21N7O/c1-10-5-13-15(17-3-4-23(13)21-10)18-8-12-6-11(7-14(12)24)16-20-19-9-22(16)2/h3-5,9,11-12,14,24H,6-8H2,1-2H3,(H,17,18)/t11-,12+,14+/m0/s1
InChIKeyRCMAMSWMTMOBBP-OUCADQQQSA-N
MW327.39 g/mol
LogP1.13
Rot. Bonds4

About (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

(1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (PubChem CID 154767551) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
PubChem CID154767551
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name(1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCc1cc2c(NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)nccn2n1
InChIInChI=1S/C16H21N7O/c1-10-5-13-15(17-3-4-23(13)21-10)18-8-12-6-11(7-14(12)24)16-20-19-9-22(16)2/h3-5,9,11-12,14,24H,6-8H2,1-2H3,(H,17,18)/t11-,12+,14+/m0/s1
InChIKeyRCMAMSWMTMOBBP-OUCADQQQSA-N
XLogP1.13
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (CID 154767551) is (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is Cc1cc2c(NC[C@H]3C[C@H](c4nncn4C)C[C@H]3O)nccn2n1.
What is the InChIKey of (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The InChIKey is RCMAMSWMTMOBBP-OUCADQQQSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10-5-13-15(17-3-4-23(13)21-10)18-8-12-6-11(7-14(12)24)16-20-19-9-22(16)2/h3-5,9,11-12,14,24H,6-8H2,1-2H3,(H,17,18)/t11-,12+,14+/m0/s1.
What are the key properties of (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
(1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol has a molecular weight of 327.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 154767551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).