4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile

C10H14N4 — CID 131469436

IUPAC4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C10H14N4/c11-5-8-1-3-10(4-2-8)14-7-9(12)6-13-14/h6-8,10H,1-4,12H2
InChIKeyCKKMUABKUQQZAQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.72
Rot. Bonds1

About 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile

4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile (PubChem CID 131469436) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile
PubChem CID131469436
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C10H14N4/c11-5-8-1-3-10(4-2-8)14-7-9(12)6-13-14/h6-8,10H,1-4,12H2
InChIKeyCKKMUABKUQQZAQ-UHFFFAOYSA-N
XLogP1.72
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile (CID 131469436) is 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile is N#CC1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is CKKMUABKUQQZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-5-8-1-3-10(4-2-8)14-7-9(12)6-13-14/h6-8,10H,1-4,12H2.
What are the key properties of 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile?
4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 131469436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).