N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide

C23H28N4O — CID 53324196

IUPACN-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)NC(C)C)c3)n[nH]2)cc1
InChIInChI=1S/C23H28N4O/c1-15(2)24-14-17-8-10-18(11-9-17)21-13-22(27-26-21)19-6-5-7-20(12-19)23(28)25-16(3)4/h5-13,15-16,24H,14H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyALSIYHKELLVYMO-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.38
Rot. Bonds7

About N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide

N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 53324196) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID53324196
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)NC(C)C)c3)n[nH]2)cc1
InChIInChI=1S/C23H28N4O/c1-15(2)24-14-17-8-10-18(11-9-17)21-13-22(27-26-21)19-6-5-7-20(12-19)23(28)25-16(3)4/h5-13,15-16,24H,14H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyALSIYHKELLVYMO-UHFFFAOYSA-N
XLogP4.38
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Kw-2449
CID 11427553
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US10022354, Example 183
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phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
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6-(2-aminoethyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
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1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
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CID 24995074
6-(3-aminopropyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide (CID 53324196) is N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide is CC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)NC(C)C)c3)n[nH]2)cc1.
What is the InChIKey of N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is ALSIYHKELLVYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15(2)24-14-17-8-10-18(11-9-17)21-13-22(27-26-21)19-6-5-7-20(12-19)23(28)25-16(3)4/h5-13,15-16,24H,14H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53324196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).