N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine

C12H22N4 — CID 117209803

IUPACN'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine
SMILESNCCCNc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C12H22N4/c13-7-4-8-14-11-9-15-16-12(11)10-5-2-1-3-6-10/h9-10,14H,1-8,13H2,(H,15,16)
InChIKeyMHSAPLVDNAFYRU-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.22
Rot. Bonds5

About N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine

N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine (PubChem CID 117209803) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine
PubChem CID117209803
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine
SMILESNCCCNc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C12H22N4/c13-7-4-8-14-11-9-15-16-12(11)10-5-2-1-3-6-10/h9-10,14H,1-8,13H2,(H,15,16)
InChIKeyMHSAPLVDNAFYRU-UHFFFAOYSA-N
XLogP2.22
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine (CID 117209803) is N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine is NCCCNc1cn[nH]c1C1CCCCC1.
What is the InChIKey of N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine?
The InChIKey is MHSAPLVDNAFYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-7-4-8-14-11-9-15-16-12(11)10-5-2-1-3-6-10/h9-10,14H,1-8,13H2,(H,15,16).
What are the key properties of N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine?
N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1H-pyrazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 117209803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).