N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine

C13H24N4 — CID 114536325

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
SMILESCc1cc(C)n(CCCNC2CCCNC2)n1
InChIInChI=1S/C13H24N4/c1-11-9-12(2)17(16-11)8-4-7-15-13-5-3-6-14-10-13/h9,13-15H,3-8,10H2,1-2H3
InChIKeyPFXNESPFTSXHSN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.23
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine (PubChem CID 114536325) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
PubChem CID114536325
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
SMILESCc1cc(C)n(CCCNC2CCCNC2)n1
InChIInChI=1S/C13H24N4/c1-11-9-12(2)17(16-11)8-4-7-15-13-5-3-6-14-10-13/h9,13-15H,3-8,10H2,1-2H3
InChIKeyPFXNESPFTSXHSN-UHFFFAOYSA-N
XLogP1.23
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.23
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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine
CID 115651483
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine
CID 114817954
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclobutane-1,3-diamine
CID 114536377
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothian-4-amine
CID 114536309
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 113220131
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 115572657
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115706685

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine (CID 114536325) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine is Cc1cc(C)n(CCCNC2CCCNC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine?
The InChIKey is PFXNESPFTSXHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-9-12(2)17(16-11)8-4-7-15-13-5-3-6-14-10-13/h9,13-15H,3-8,10H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine is sourced from PubChem (CID 114536325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).