1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide

C10H16N4O — CID 95804927

IUPAC1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn([C@@H]2CCCNCC2)c1
InChIInChI=1S/C10H16N4O/c11-10(15)8-6-13-14(7-8)9-2-1-4-12-5-3-9/h6-7,9,12H,1-5H2,(H2,11,15)/t9-/m1/s1
InChIKeyKXNOBYOOZFNSGS-SECBINFHSA-N
MW208.26 g/mol
LogP0.30
Rot. Bonds2

About 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide

1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide (PubChem CID 95804927) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
PubChem CID95804927
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn([C@@H]2CCCNCC2)c1
InChIInChI=1S/C10H16N4O/c11-10(15)8-6-13-14(7-8)9-2-1-4-12-5-3-9/h6-7,9,12H,1-5H2,(H2,11,15)/t9-/m1/s1
InChIKeyKXNOBYOOZFNSGS-SECBINFHSA-N
XLogP0.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide (CID 95804927) is 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide is NC(=O)c1cnn([C@@H]2CCCNCC2)c1.
What is the InChIKey of 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide?
The InChIKey is KXNOBYOOZFNSGS-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10(15)8-6-13-14(7-8)9-2-1-4-12-5-3-9/h6-7,9,12H,1-5H2,(H2,11,15)/t9-/m1/s1.
What are the key properties of 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide?
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 95804927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).