1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C23H28N6O — CID 55913120

IUPAC1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C23H28N6O/c1-28(13-7-10-19-16-21(27-26-19)18-8-3-2-4-9-18)23(30)25-20-11-12-22(24-17-20)29-14-5-6-15-29/h2-4,8-9,11-12,16-17H,5-7,10,13-15H2,1H3,(H,25,30)(H,26,27)
InChIKeyNRWJDKGEMMLFNQ-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.17
Rot. Bonds7

About 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 55913120) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID55913120
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C23H28N6O/c1-28(13-7-10-19-16-21(27-26-19)18-8-3-2-4-9-18)23(30)25-20-11-12-22(24-17-20)29-14-5-6-15-29/h2-4,8-9,11-12,16-17H,5-7,10,13-15H2,1H3,(H,25,30)(H,26,27)
InChIKeyNRWJDKGEMMLFNQ-UHFFFAOYSA-N
XLogP4.17
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(4-methylphenyl)urea
CID 51127515
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 55994619
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 55994752
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
CID 55814815
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944
1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740490
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]azepane-1-sulfonamide
CID 55923231
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 55913120) is 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is NRWJDKGEMMLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-28(13-7-10-19-16-21(27-26-19)18-8-3-2-4-9-18)23(30)25-20-11-12-22(24-17-20)29-14-5-6-15-29/h2-4,8-9,11-12,16-17H,5-7,10,13-15H2,1H3,(H,25,30)(H,26,27).
What are the key properties of 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 404.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 55913120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).