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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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).