1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

C19H27ClN4O — CID 91645692

IUPAC1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(Cc2ccccc2)c1)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-2-12-23(18-8-10-20-11-9-18)19(24)17-13-21-22(15-17)14-16-6-4-3-5-7-16;/h3-7,13,15,18,20H,2,8-12,14H2,1H3;1H
InChIKeyGJYXALMHDNIVOZ-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.96
Rot. Bonds6

About 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (PubChem CID 91645692) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
PubChem CID91645692
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(Cc2ccccc2)c1)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-2-12-23(18-8-10-20-11-9-18)19(24)17-13-21-22(15-17)14-16-6-4-3-5-7-16;/h3-7,13,15,18,20H,2,8-12,14H2,1H3;1H
InChIKeyGJYXALMHDNIVOZ-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (CID 91645692) is 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1cnn(Cc2ccccc2)c1)C1CCNCC1.Cl.
What is the InChIKey of 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is GJYXALMHDNIVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-2-12-23(18-8-10-20-11-9-18)19(24)17-13-21-22(15-17)14-16-6-4-3-5-7-16;/h3-7,13,15,18,20H,2,8-12,14H2,1H3;1H.
What are the key properties of 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 91645692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).