4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine

C11H20N4 — CID 62320335

IUPAC4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCn1nccc1CNC1CCC(N)CC1
InChIInChI=1S/C11H20N4/c1-15-11(6-7-14-15)8-13-10-4-2-9(12)3-5-10/h6-7,9-10,13H,2-5,8,12H2,1H3
InChIKeyCTWJIOXAWXSTEJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.78
Rot. Bonds3

About 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine

4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 62320335) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
PubChem CID62320335
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCn1nccc1CNC1CCC(N)CC1
InChIInChI=1S/C11H20N4/c1-15-11(6-7-14-15)8-13-10-4-2-9(12)3-5-10/h6-7,9-10,13H,2-5,8,12H2,1H3
InChIKeyCTWJIOXAWXSTEJ-UHFFFAOYSA-N
XLogP0.78
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43747132
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine
CID 154734066
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
3-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119727673
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43663217

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine (CID 62320335) is 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine is Cn1nccc1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is CTWJIOXAWXSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15-11(6-7-14-15)8-13-10-4-2-9(12)3-5-10/h6-7,9-10,13H,2-5,8,12H2,1H3.
What are the key properties of 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62320335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).