3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide

C14H24N4O — CID 115737976

IUPAC3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C14H24N4O/c1-10-8-11(2)18(17-10)7-3-6-16-14(19)12-4-5-13(15)9-12/h8,12-13H,3-7,9,15H2,1-2H3,(H,16,19)
InChIKeyKJIIJIQSEKLHTO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.13
Rot. Bonds5

About 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide

3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide (PubChem CID 115737976) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
PubChem CID115737976
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C14H24N4O/c1-10-8-11(2)18(17-10)7-3-6-16-14(19)12-4-5-13(15)9-12/h8,12-13H,3-7,9,15H2,1-2H3,(H,16,19)
InChIKeyKJIIJIQSEKLHTO-UHFFFAOYSA-N
XLogP1.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973
cis-(1R,2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124574731
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86999451
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28882866
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 110914283
3-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 4771349
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56917679
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclobutane-1,3-diamine
CID 114536377
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide (CID 115737976) is 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide is Cc1cc(C)n(CCCNC(=O)C2CCC(N)C2)n1.
What is the InChIKey of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide?
The InChIKey is KJIIJIQSEKLHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-8-11(2)18(17-10)7-3-6-16-14(19)12-4-5-13(15)9-12/h8,12-13H,3-7,9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide?
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115737976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).