N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide

C19H26N4O2 — CID 111458804

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2cccc(CN3CCCC3)c2)cn1
InChIInChI=1S/C19H26N4O2/c1-19(25,17-11-21-22(2)13-17)14-20-18(24)16-7-5-6-15(10-16)12-23-8-3-4-9-23/h5-7,10-11,13,25H,3-4,8-9,12,14H2,1-2H3,(H,20,24)
InChIKeyHZHCBWZYNAHILU-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.65
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 111458804) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID111458804
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2cccc(CN3CCCC3)c2)cn1
InChIInChI=1S/C19H26N4O2/c1-19(25,17-11-21-22(2)13-17)14-20-18(24)16-7-5-6-15(10-16)12-23-8-3-4-9-23/h5-7,10-11,13,25H,3-4,8-9,12,14H2,1-2H3,(H,20,24)
InChIKeyHZHCBWZYNAHILU-UHFFFAOYSA-N
XLogP1.65
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10343992, Example 43
CID 122590547
US10343992, Example 107
CID 122590598
US10343992, Example 104
CID 122590643
US10343992, Example 44
CID 122590787
2-(1-{(3R,6R)-6-Methyl-1-[(2-propylphenyl)carbonyl]piperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol
CID 121314056
2-{1-[(3R,6R)-6-Methyl-1-{[2-(1-methylethyl)phenyl]carbonyl}piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121344805
US10689345, Example 107
CID 155803037
N-[2-[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]ethyl]acetamide
CID 53594158
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 70718662
N-[(3-carbamoylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865744
3-ethyl-8-[3-(1H-pyrazol-1-ylmethyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70722197

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide (CID 111458804) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide is Cn1cc(C(C)(O)CNC(=O)c2cccc(CN3CCCC3)c2)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is HZHCBWZYNAHILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(25,17-11-21-22(2)13-17)14-20-18(24)16-7-5-6-15(10-16)12-23-8-3-4-9-23/h5-7,10-11,13,25H,3-4,8-9,12,14H2,1-2H3,(H,20,24).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 111458804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).