N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide

C19H32N6O — CID 47086932

IUPACN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide
SMILESCCCC1CCCN(C(=O)NCCCCCc2[nH]nc(N)c2C#N)CC1
InChIInChI=1S/C19H32N6O/c1-2-7-15-8-6-12-25(13-10-15)19(26)22-11-5-3-4-9-17-16(14-20)18(21)24-23-17/h15H,2-13H2,1H3,(H,22,26)(H3,21,23,24)
InChIKeyCRZKFNUPAAVBJP-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.19
Rot. Bonds8

About N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide (PubChem CID 47086932) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide
PubChem CID47086932
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide
SMILESCCCC1CCCN(C(=O)NCCCCCc2[nH]nc(N)c2C#N)CC1
InChIInChI=1S/C19H32N6O/c1-2-7-15-8-6-12-25(13-10-15)19(26)22-11-5-3-4-9-17-16(14-20)18(21)24-23-17/h15H,2-13H2,1H3,(H,22,26)(H3,21,23,24)
InChIKeyCRZKFNUPAAVBJP-UHFFFAOYSA-N
XLogP3.19
TPSA110.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide?
The IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide (CID 47086932) is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide.
What is the SMILES notation for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide?
The canonical SMILES for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide is CCCC1CCCN(C(=O)NCCCCCc2[nH]nc(N)c2C#N)CC1.
What is the InChIKey of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide?
The InChIKey is CRZKFNUPAAVBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-2-7-15-8-6-12-25(13-10-15)19(26)22-11-5-3-4-9-17-16(14-20)18(21)24-23-17/h15H,2-13H2,1H3,(H,22,26)(H3,21,23,24).
What are the key properties of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide?
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide has a molecular weight of 360.51 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide is sourced from PubChem (CID 47086932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).