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

C14H26N4 — CID 79111703

IUPAC4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1ccnn1C)C1CCC(N)CC1
InChIInChI=1S/C14H26N4/c1-3-10-18(11-14-8-9-16-17(14)2)13-6-4-12(15)5-7-13/h8-9,12-13H,3-7,10-11,15H2,1-2H3
InChIKeyQMZXPTJWVZRHHA-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds5

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

4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111703) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111703
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1ccnn1C)C1CCC(N)CC1
InChIInChI=1S/C14H26N4/c1-3-10-18(11-14-8-9-16-17(14)2)13-6-4-12(15)5-7-13/h8-9,12-13H,3-7,10-11,15H2,1-2H3
InChIKeyQMZXPTJWVZRHHA-UHFFFAOYSA-N
XLogP1.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 106758695
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113027
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
4-N-[(3,5-dichlorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112363
4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79115486
4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
CID 79115977
4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79117293
4-N-(3-phenylprop-2-ynyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111804

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine (CID 79111703) is 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(Cc1ccnn1C)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is QMZXPTJWVZRHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-10-18(11-14-8-9-16-17(14)2)13-6-4-12(15)5-7-13/h8-9,12-13H,3-7,10-11,15H2,1-2H3.
What are the key properties of 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).