1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine

C16H18ClN5 — CID 138038926

IUPAC1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
SMILESCC(C)c1c(NCc2ccn[nH]2)cnn1-c1ccccc1Cl
InChIInChI=1S/C16H18ClN5/c1-11(2)16-14(18-9-12-7-8-19-21-12)10-20-22(16)15-6-4-3-5-13(15)17/h3-8,10-11,18H,9H2,1-2H3,(H,19,21)
InChIKeyHWDZEFKZQZSNSG-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.98
Rot. Bonds5

About 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine

1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine (PubChem CID 138038926) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
PubChem CID138038926
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
SMILESCC(C)c1c(NCc2ccn[nH]2)cnn1-c1ccccc1Cl
InChIInChI=1S/C16H18ClN5/c1-11(2)16-14(18-9-12-7-8-19-21-12)10-20-22(16)15-6-4-3-5-13(15)17/h3-8,10-11,18H,9H2,1-2H3,(H,19,21)
InChIKeyHWDZEFKZQZSNSG-UHFFFAOYSA-N
XLogP3.98
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-5-(propan-2-yl)-1H-pyrazol-4-amine
CID 66425921
1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
CID 71975804
1H-1,2,3-Triazole, 1-(2,4-dichlorophenyl)-5-methyl-4-(5-pyrazolyl)-
CID 615405
4,5'-Bipyrazole, 1-(2,4,6-trichlorophenyl)-5-methyl-
CID 629871
1-(2-chlorophenyl)-5-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride
CID 86775375
1-(2-chlorophenyl)-5-ethyl-1H-pyrazol-4-amine hydrochloride
CID 86775399
1-(2,5-dichlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)triazole
CID 2805719
N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 45248679
(1R)-N-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25364104
(1S)-N-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25364108
N-{[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 25396708
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 26399787

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine (CID 138038926) is 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine is CC(C)c1c(NCc2ccn[nH]2)cnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine?
The InChIKey is HWDZEFKZQZSNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-11(2)16-14(18-9-12-7-8-19-21-12)10-20-22(16)15-6-4-3-5-13(15)17/h3-8,10-11,18H,9H2,1-2H3,(H,19,21).
What are the key properties of 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine?
1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine has a molecular weight of 315.81 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 138038926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).