1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine

C17H21ClN4 — CID 117210416

IUPAC1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CC2)CC1
InChIInChI=1S/C17H21ClN4/c18-13-3-5-15(6-4-13)22-17(12-1-2-12)16(11-20-22)21-9-7-14(19)8-10-21/h3-6,11-12,14H,1-2,7-10,19H2
InChIKeyMXUPVFDSXZQCHW-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.33
Rot. Bonds3

About 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine

1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine (PubChem CID 117210416) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine
PubChem CID117210416
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CC2)CC1
InChIInChI=1S/C17H21ClN4/c18-13-3-5-15(6-4-13)22-17(12-1-2-12)16(11-20-22)21-9-7-14(19)8-10-21/h3-6,11-12,14H,1-2,7-10,19H2
InChIKeyMXUPVFDSXZQCHW-UHFFFAOYSA-N
XLogP3.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine (CID 117210416) is 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine is NC1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CC2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine?
The InChIKey is MXUPVFDSXZQCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c18-13-3-5-15(6-4-13)22-17(12-1-2-12)16(11-20-22)21-9-7-14(19)8-10-21/h3-6,11-12,14H,1-2,7-10,19H2.
What are the key properties of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine?
1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117210416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).