N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C15H21ClN4 — CID 104733822

IUPACN-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(N(CCCl)C3CCCCC3)nccn2n1
InChIInChI=1S/C15H21ClN4/c1-12-11-14-15(17-8-10-20(14)18-12)19(9-7-16)13-5-3-2-4-6-13/h8,10-11,13H,2-7,9H2,1H3
InChIKeyTXWPTOUPVLGGEY-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.42
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104733822) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104733822
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(N(CCCl)C3CCCCC3)nccn2n1
InChIInChI=1S/C15H21ClN4/c1-12-11-14-15(17-8-10-20(14)18-12)19(9-7-16)13-5-3-2-4-6-13/h8,10-11,13H,2-7,9H2,1H3
InChIKeyTXWPTOUPVLGGEY-UHFFFAOYSA-N
XLogP3.42
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732667
2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489624
N-(azetidin-3-yl)-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732673
N-cyclopropyl-N'-methyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 113446593
4-chloro-2-methylpyrazolo[1,5-a]pyrazine
CID 55264761
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106641336
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619653
2-[cyclopentyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 104733071
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619257
N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729848
3-[2-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104733822) is N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(N(CCCl)C3CCCCC3)nccn2n1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is TXWPTOUPVLGGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-12-11-14-15(17-8-10-20(14)18-12)19(9-7-16)13-5-3-2-4-6-13/h8,10-11,13H,2-7,9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104733822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).