N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride

C22H27ClN4O2 — CID 119438563

IUPACN-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CNCC)c1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-3-13-28-20-16-26(19-11-6-5-7-12-19)25-21(20)22(27)24-18-10-8-9-17(14-18)15-23-4-2;/h5-12,14,16,23H,3-4,13,15H2,1-2H3,(H,24,27);1H
InChIKeyUIVQNCJZQGPQOG-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.44
Rot. Bonds9

About N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride

N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride (PubChem CID 119438563) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride
PubChem CID119438563
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CNCC)c1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-3-13-28-20-16-26(19-11-6-5-7-12-19)25-21(20)22(27)24-18-10-8-9-17(14-18)15-23-4-2;/h5-12,14,16,23H,3-4,13,15H2,1-2H3,(H,24,27);1H
InChIKeyUIVQNCJZQGPQOG-UHFFFAOYSA-N
XLogP4.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 98393412
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 139013299
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119440303
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 39908296
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide
CID 98407291
4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 71932265

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride (CID 119438563) is N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride is CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CNCC)c1.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride?
The InChIKey is UIVQNCJZQGPQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-3-13-28-20-16-26(19-11-6-5-7-12-19)25-21(20)22(27)24-18-10-8-9-17(14-18)15-23-4-2;/h5-12,14,16,23H,3-4,13,15H2,1-2H3,(H,24,27);1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride?
N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119438563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).