1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea

C18H25N5O — CID 124850362

IUPAC1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCCN(C[C@@H]1CCN(C)C1)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H25N5O/c1-3-22(14-15-9-12-21(2)13-15)18(24)20-16-5-7-17(8-6-16)23-11-4-10-19-23/h4-8,10-11,15H,3,9,12-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyQKRFTLRQWDGWPS-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.68
Rot. Bonds5

About 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea

1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea (PubChem CID 124850362) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
PubChem CID124850362
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCCN(C[C@@H]1CCN(C)C1)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H25N5O/c1-3-22(14-15-9-12-21(2)13-15)18(24)20-16-5-7-17(8-6-16)23-11-4-10-19-23/h4-8,10-11,15H,3,9,12-14H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyQKRFTLRQWDGWPS-OAHLLOKOSA-N
XLogP2.68
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 91837463
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CID 118792608
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 111107474
1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea
CID 84595112
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 63274287
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 135105269

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea (CID 124850362) is 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea is CCN(C[C@@H]1CCN(C)C1)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The InChIKey is QKRFTLRQWDGWPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22(14-15-9-12-21(2)13-15)18(24)20-16-5-7-17(8-6-16)23-11-4-10-19-23/h4-8,10-11,15H,3,9,12-14H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 124850362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).