N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

C22H26N4O2 — CID 118663034

IUPACN-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NC(CCN(C)C)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H26N4O2/c1-26(2)12-11-20(16-7-5-4-6-8-16)25-22(27)17-9-10-19(21(13-17)28-3)18-14-23-24-15-18/h4-10,13-15,20H,11-12H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyZFDYBUAPZQQBIX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds8

About N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663034) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663034
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NC(CCN(C)C)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H26N4O2/c1-26(2)12-11-20(16-7-5-4-6-8-16)25-22(27)17-9-10-19(21(13-17)28-3)18-14-23-24-15-18/h4-10,13-15,20H,11-12H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyZFDYBUAPZQQBIX-UHFFFAOYSA-N
XLogP3.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
CID 73442760
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85469696
3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354217
N-[(1S)-2-amino-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90385099
3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662989
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118662999
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663021
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162670833
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995077
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 44191420
2,2,2-trifluoro-1-[4-[7-(1H-pyrazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59604870
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 76070677

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118663034) is N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)NC(CCN(C)C)c2ccccc2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is ZFDYBUAPZQQBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-26(2)12-11-20(16-7-5-4-6-8-16)25-22(27)17-9-10-19(21(13-17)28-3)18-14-23-24-15-18/h4-10,13-15,20H,11-12H2,1-3H3,(H,23,24)(H,25,27).
What are the key properties of N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-phenylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).