N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide

C15H25N5O — CID 75420121

IUPACN-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCCCC(N2CCCC2)C1
InChIInChI=1S/C15H25N5O/c21-15(16-11-13-6-7-17-18-13)20-10-2-1-5-14(12-20)19-8-3-4-9-19/h6-7,14H,1-5,8-12H2,(H,16,21)(H,17,18)
InChIKeyUILJVYNHQLWKLI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.57
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide

N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide (PubChem CID 75420121) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide
PubChem CID75420121
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCCCC(N2CCCC2)C1
InChIInChI=1S/C15H25N5O/c21-15(16-11-13-6-7-17-18-13)20-10-2-1-5-14(12-20)19-8-3-4-9-19/h6-7,14H,1-5,8-12H2,(H,16,21)(H,17,18)
InChIKeyUILJVYNHQLWKLI-UHFFFAOYSA-N
XLogP1.57
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide (CID 75420121) is N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide is O=C(NCc1ccn[nH]1)N1CCCCC(N2CCCC2)C1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide?
The InChIKey is UILJVYNHQLWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c21-15(16-11-13-6-7-17-18-13)20-10-2-1-5-14(12-20)19-8-3-4-9-19/h6-7,14H,1-5,8-12H2,(H,16,21)(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide is sourced from PubChem (CID 75420121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).