N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride

C19H27ClN4O2 — CID 119444107

IUPACN-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-3-13-25-17-14-23(16-7-5-4-6-8-16)21-18(17)19(24)22(2)15-9-11-20-12-10-15;/h4-8,14-15,20H,3,9-13H2,1-2H3;1H
InChIKeyRYAMCSMMBQWIQT-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.91
Rot. Bonds6

About N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride

N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride (PubChem CID 119444107) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride
PubChem CID119444107
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC NameN-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-3-13-25-17-14-23(16-7-5-4-6-8-16)21-18(17)19(24)22(2)15-9-11-20-12-10-15;/h4-8,14-15,20H,3,9-13H2,1-2H3;1H
InChIKeyRYAMCSMMBQWIQT-UHFFFAOYSA-N
XLogP2.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 139000172
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138995998
1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119357004
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119529856
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 42896627
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119441481
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119453024

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride (CID 119444107) is N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride is CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride?
The InChIKey is RYAMCSMMBQWIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-3-13-25-17-14-23(16-7-5-4-6-8-16)21-18(17)19(24)22(2)15-9-11-20-12-10-15;/h4-8,14-15,20H,3,9-13H2,1-2H3;1H.
What are the key properties of N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride?
N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119444107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).