1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea

C16H20ClN5O — CID 51959661

IUPAC1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1cn[nH]c1
InChIInChI=1S/C16H20ClN5O/c17-13-5-3-4-12(8-13)15(22-6-1-2-7-22)11-18-16(23)21-14-9-19-20-10-14/h3-5,8-10,15H,1-2,6-7,11H2,(H,19,20)(H2,18,21,23)/t15-/m1/s1
InChIKeySFWFMYHPWADMKW-OAHLLOKOSA-N
MW333.82 g/mol
LogP3.02
Rot. Bonds5

About 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea

1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 51959661) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID51959661
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1cn[nH]c1
InChIInChI=1S/C16H20ClN5O/c17-13-5-3-4-12(8-13)15(22-6-1-2-7-22)11-18-16(23)21-14-9-19-20-10-14/h3-5,8-10,15H,1-2,6-7,11H2,(H,19,20)(H2,18,21,23)/t15-/m1/s1
InChIKeySFWFMYHPWADMKW-OAHLLOKOSA-N
XLogP3.02
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871896
1-(3-chlorophenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]urea
CID 7496603
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55841557
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119849478
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
CID 8701528
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62877454
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea (CID 51959661) is 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea is O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1cn[nH]c1.
What is the InChIKey of 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is SFWFMYHPWADMKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20ClN5O/c17-13-5-3-4-12(8-13)15(22-6-1-2-7-22)11-18-16(23)21-14-9-19-20-10-14/h3-5,8-10,15H,1-2,6-7,11H2,(H,19,20)(H2,18,21,23)/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea?
1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 333.82 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 51959661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).