N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide

C19H22N4O2 — CID 167960825

IUPACN-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide
SMILESCN(C)CC(O)Cn1cc(NC(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C19H22N4O2/c1-22(2)12-16(24)13-23-11-15(10-20-23)21-19(25)18-9-5-7-14-6-3-4-8-17(14)18/h3-11,16,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyZJEDOHZNAGYPEG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.21
Rot. Bonds6

About N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide

N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide (PubChem CID 167960825) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide
PubChem CID167960825
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide
SMILESCN(C)CC(O)Cn1cc(NC(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C19H22N4O2/c1-22(2)12-16(24)13-23-11-15(10-20-23)21-19(25)18-9-5-7-14-6-3-4-8-17(14)18/h3-11,16,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyZJEDOHZNAGYPEG-UHFFFAOYSA-N
XLogP2.21
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167754395
1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
CID 95330365
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
CID 111430926
6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide
CID 75398258
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2,5-dimethylphenyl)urea
CID 111430893
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(4-fluoro-3-methylphenyl)urea
CID 111431651
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 111431072
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167831048
1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea
CID 95615911
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-8-methoxynaphthalene-1-carboxamide
CID 167773289

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide (CID 167960825) is N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide is CN(C)CC(O)Cn1cc(NC(=O)c2cccc3ccccc23)cn1.
What is the InChIKey of N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide?
The InChIKey is ZJEDOHZNAGYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)12-16(24)13-23-11-15(10-20-23)21-19(25)18-9-5-7-14-6-3-4-8-17(14)18/h3-11,16,24H,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide?
N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167960825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).