4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine

C11H20N4 — CID 62319969

IUPAC4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1[nH]ncc1CNC1CCC(N)CC1
InChIInChI=1S/C11H20N4/c1-8-9(7-14-15-8)6-13-11-4-2-10(12)3-5-11/h7,10-11,13H,2-6,12H2,1H3,(H,14,15)
InChIKeyPHMJPTRPYBLVIO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.08
Rot. Bonds3

About 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine

4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 62319969) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine
PubChem CID62319969
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1[nH]ncc1CNC1CCC(N)CC1
InChIInChI=1S/C11H20N4/c1-8-9(7-14-15-8)6-13-11-4-2-10(12)3-5-11/h7,10-11,13H,2-6,12H2,1H3,(H,14,15)
InChIKeyPHMJPTRPYBLVIO-UHFFFAOYSA-N
XLogP1.08
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine (CID 62319969) is 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine is Cc1[nH]ncc1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is PHMJPTRPYBLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-9(7-14-15-8)6-13-11-4-2-10(12)3-5-11/h7,10-11,13H,2-6,12H2,1H3,(H,14,15).
What are the key properties of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62319969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).