1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea

C17H23N5O — CID 74243118

IUPAC1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
SMILESCc1cc(NC(=O)NC[C@@H]2CCCN2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-13-10-16(20-17(23)19-11-15-8-5-9-18-15)22(21-13)12-14-6-3-2-4-7-14/h2-4,6-7,10,15,18H,5,8-9,11-12H2,1H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyNIHPFQKGWFPZTN-HNNXBMFYSA-N
MW313.40 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea

1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea (PubChem CID 74243118) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
PubChem CID74243118
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
SMILESCc1cc(NC(=O)NC[C@@H]2CCCN2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-13-10-16(20-17(23)19-11-15-8-5-9-18-15)22(21-13)12-14-6-3-2-4-7-14/h2-4,6-7,10,15,18H,5,8-9,11-12H2,1H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyNIHPFQKGWFPZTN-HNNXBMFYSA-N
XLogP2.11
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea 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

N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119936075
N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide
CID 119704837
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473587
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119704830
N-(2-benzyl-5-methylpyrazol-3-yl)-4-bromopyrazolidine-3-carboxamide
CID 85498726
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100650872
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea (CID 74243118) is 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea is Cc1cc(NC(=O)NC[C@@H]2CCCN2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
The InChIKey is NIHPFQKGWFPZTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-10-16(20-17(23)19-11-15-8-5-9-18-15)22(21-13)12-14-6-3-2-4-7-14/h2-4,6-7,10,15,18H,5,8-9,11-12H2,1H3,(H2,19,20,23)/t15-/m0/s1.
What are the key properties of 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 74243118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).