(2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol

C21H27N7O — CID 163868671

IUPAC(2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(C1CC1)n1cc(C2=NC(c3cnn(C[C@H](C)O)c3)Cn3nccc32)cn1
InChIInChI=1S/C21H27N7O/c1-3-19(15-4-5-15)27-12-17(9-24-27)21-20-6-7-22-28(20)13-18(25-21)16-8-23-26(11-16)10-14(2)29/h6-9,11-12,14-15,18-19,29H,3-5,10,13H2,1-2H3/t14-,18?,19?/m0/s1
InChIKeyPIWPDFFYEWNSGF-YCMKEVRSSA-N
MW393.50 g/mol
LogP2.61
Rot. Bonds7

About (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol

(2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 163868671) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
PubChem CID163868671
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name(2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(C1CC1)n1cc(C2=NC(c3cnn(C[C@H](C)O)c3)Cn3nccc32)cn1
InChIInChI=1S/C21H27N7O/c1-3-19(15-4-5-15)27-12-17(9-24-27)21-20-6-7-22-28(20)13-18(25-21)16-8-23-26(11-16)10-14(2)29/h6-9,11-12,14-15,18-19,29H,3-5,10,13H2,1-2H3/t14-,18?,19?/m0/s1
InChIKeyPIWPDFFYEWNSGF-YCMKEVRSSA-N
XLogP2.61
TPSA86.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (CID 163868671) is (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is CCC(C1CC1)n1cc(C2=NC(c3cnn(C[C@H](C)O)c3)Cn3nccc32)cn1.
What is the InChIKey of (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is PIWPDFFYEWNSGF-YCMKEVRSSA-N. The full InChI is InChI=1S/C21H27N7O/c1-3-19(15-4-5-15)27-12-17(9-24-27)21-20-6-7-22-28(20)13-18(25-21)16-8-23-26(11-16)10-14(2)29/h6-9,11-12,14-15,18-19,29H,3-5,10,13H2,1-2H3/t14-,18?,19?/m0/s1.
What are the key properties of (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
(2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 393.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 163868671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).