4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide

C19H21N5O — CID 138026685

IUPAC4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(22-18-8-11-20-17-9-12-21-24(17)18)23-13-4-7-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,22,25)
InChIKeyQUJYPSZXDFJGAC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.53
Rot. Bonds2

About 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide

4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide (PubChem CID 138026685) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide
PubChem CID138026685
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(22-18-8-11-20-17-9-12-21-24(17)18)23-13-4-7-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,22,25)
InChIKeyQUJYPSZXDFJGAC-UHFFFAOYSA-N
XLogP3.53
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
The IUPAC name of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide (CID 138026685) is 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
The canonical SMILES for 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide is O=C(Nc1ccnc2ccnn12)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
The InChIKey is QUJYPSZXDFJGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(22-18-8-11-20-17-9-12-21-24(17)18)23-13-4-7-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,22,25).
What are the key properties of 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide?
4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylazepane-1-carboxamide is sourced from PubChem (CID 138026685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).