N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C19H26N6O2 — CID 95136435

IUPACN-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1
InChIInChI=1S/C19H26N6O2/c1-12(2)17-20-6-7-24(17)13(3)19(27)23-8-9-25-15(11-23)10-16(22-25)18(26)21-14-4-5-14/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,21,26)/t13-/m0/s1
InChIKeyFZQLDATVLHSGDD-ZDUSSCGKSA-N
MW370.46 g/mol
LogP1.70
Rot. Bonds5

About N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 95136435) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID95136435
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1
InChIInChI=1S/C19H26N6O2/c1-12(2)17-20-6-7-24(17)13(3)19(27)23-8-9-25-15(11-23)10-16(22-25)18(26)21-14-4-5-14/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,21,26)/t13-/m0/s1
InChIKeyFZQLDATVLHSGDD-ZDUSSCGKSA-N
XLogP1.70
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 72937551
N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 95136435) is N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(C)c1nccn1[C@@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1.
What is the InChIKey of N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is FZQLDATVLHSGDD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12(2)17-20-6-7-24(17)13(3)19(27)23-8-9-25-15(11-23)10-16(22-25)18(26)21-14-4-5-14/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,21,26)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95136435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).