4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine

C11H20N4 — CID 126672423

IUPAC4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ccn[nH]2)CC1
InChIInChI=1S/C11H20N4/c1-15(2)10-5-3-9(4-6-10)13-11-7-8-12-14-11/h7-10H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyQZECRZJNBVRDPL-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.69
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 126672423) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine
PubChem CID126672423
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ccn[nH]2)CC1
InChIInChI=1S/C11H20N4/c1-15(2)10-5-3-9(4-6-10)13-11-7-8-12-14-11/h7-10H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyQZECRZJNBVRDPL-UHFFFAOYSA-N
XLogP1.69
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine (CID 126672423) is 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ccn[nH]2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is QZECRZJNBVRDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15(2)10-5-3-9(4-6-10)13-11-7-8-12-14-11/h7-10H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(1H-pyrazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 126672423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).