4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C19H21N7 — CID 121378431

IUPAC4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESC[C@H]1CCCC[C@@H]1n1cc(-c2nc(-c3cn[nH]c3)cn3nccc23)cn1
InChIInChI=1S/C19H21N7/c1-13-4-2-3-5-17(13)25-11-15(10-23-25)19-18-6-7-22-26(18)12-16(24-19)14-8-20-21-9-14/h6-13,17H,2-5H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyYKRDJBSVPYHBGQ-GUYCJALGSA-N
MW347.43 g/mol
LogP3.73
Rot. Bonds3

About 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121378431) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121378431
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESC[C@H]1CCCC[C@@H]1n1cc(-c2nc(-c3cn[nH]c3)cn3nccc23)cn1
InChIInChI=1S/C19H21N7/c1-13-4-2-3-5-17(13)25-11-15(10-23-25)19-18-6-7-22-26(18)12-16(24-19)14-8-20-21-9-14/h6-13,17H,2-5H2,1H3,(H,20,21)/t13-,17-/m0/s1
InChIKeyYKRDJBSVPYHBGQ-GUYCJALGSA-N
XLogP3.73
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121378431) is 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine is C[C@H]1CCCC[C@@H]1n1cc(-c2nc(-c3cn[nH]c3)cn3nccc23)cn1.
What is the InChIKey of 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is YKRDJBSVPYHBGQ-GUYCJALGSA-N. The full InChI is InChI=1S/C19H21N7/c1-13-4-2-3-5-17(13)25-11-15(10-23-25)19-18-6-7-22-26(18)12-16(24-19)14-8-20-21-9-14/h6-13,17H,2-5H2,1H3,(H,20,21)/t13-,17-/m0/s1.
What are the key properties of 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 347.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121378431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).