N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine

C15H27N3O — CID 116803809

IUPACN-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
SMILESCCCn1cc(OCCCNC2CCCCC2)cn1
InChIInChI=1S/C15H27N3O/c1-2-10-18-13-15(12-17-18)19-11-6-9-16-14-7-4-3-5-8-14/h12-14,16H,2-11H2,1H3
InChIKeyUPZRDPYUSDMIBK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.98
Rot. Bonds8

About N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine

N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine (PubChem CID 116803809) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
PubChem CID116803809
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
SMILESCCCn1cc(OCCCNC2CCCCC2)cn1
InChIInChI=1S/C15H27N3O/c1-2-10-18-13-15(12-17-18)19-11-6-9-16-14-7-4-3-5-8-14/h12-14,16H,2-11H2,1H3
InChIKeyUPZRDPYUSDMIBK-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
CID 116803867
N-[2-(4-propan-2-yloxypyrazol-1-yl)ethyl]cyclopentanamine
CID 114274297
4-propoxy-1-propylpyrazole
CID 116805185
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 116803383
3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
CID 164885763
4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine
CID 164576556

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine?
The IUPAC name of N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine (CID 116803809) is N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine.
What is the SMILES notation for N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine?
The canonical SMILES for N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine is CCCn1cc(OCCCNC2CCCCC2)cn1.
What is the InChIKey of N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine?
The InChIKey is UPZRDPYUSDMIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-10-18-13-15(12-17-18)19-11-6-9-16-14-7-4-3-5-8-14/h12-14,16H,2-11H2,1H3.
What are the key properties of N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine?
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine has a molecular weight of 265.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine is sourced from PubChem (CID 116803809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).