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

C16H25N5O — CID 8929445

IUPACN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide
SMILESN#Cc1c(N)n[nH]c1CCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C16H25N5O/c17-11-13-14(20-21-15(13)18)9-5-2-6-10-19-16(22)12-7-3-1-4-8-12/h12H,1-10H2,(H,19,22)(H3,18,20,21)
InChIKeyDVXOIBYPSPGPTI-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.27
Rot. Bonds7

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

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide (PubChem CID 8929445) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide
PubChem CID8929445
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide
SMILESN#Cc1c(N)n[nH]c1CCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C16H25N5O/c17-11-13-14(20-21-15(13)18)9-5-2-6-10-19-16(22)12-7-3-1-4-8-12/h12H,1-10H2,(H,19,22)(H3,18,20,21)
InChIKeyDVXOIBYPSPGPTI-UHFFFAOYSA-N
XLogP2.27
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.27
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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Related Compounds

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-4-propylazepane-1-carboxamide
CID 47086932
1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
CID 94174330
3-amino-5-[3-[(6-cyclohexyloxypyrazin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
CID 86797612
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 154761382
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine
CID 110913352
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 25371723
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide (CID 8929445) is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide is N#Cc1c(N)n[nH]c1CCCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide?
The InChIKey is DVXOIBYPSPGPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-11-13-14(20-21-15(13)18)9-5-2-6-10-19-16(22)12-7-3-1-4-8-12/h12H,1-10H2,(H,19,22)(H3,18,20,21).
What are the key properties of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide?
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.27, 7 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]cyclohexanecarboxamide is sourced from PubChem (CID 8929445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).