1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea

C18H25N5O — CID 99702276

IUPAC1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cn1
InChIInChI=1S/C18H25N5O/c1-18(14-19-17(24)21-16-11-20-22(2)13-16)9-6-10-23(18)12-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12,14H2,1-2H3,(H2,19,21,24)/t18-/m1/s1
InChIKeyNALKGIBYIXBWKL-GOSISDBHSA-N
MW327.43 g/mol
LogP2.60
Rot. Bonds5

About 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea

1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 99702276) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID99702276
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cn1
InChIInChI=1S/C18H25N5O/c1-18(14-19-17(24)21-16-11-20-22(2)13-16)9-6-10-23(18)12-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12,14H2,1-2H3,(H2,19,21,24)/t18-/m1/s1
InChIKeyNALKGIBYIXBWKL-GOSISDBHSA-N
XLogP2.60
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea with MolForge

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Related Compounds

N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 136533373
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
CID 99823025
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199
5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095436
N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide
CID 119034343
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
4-[2-[(1-methylpyrazol-4-yl)carbamoylamino]ethyl]benzoic acid
CID 61198132
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 78874659
(3aS,6aR)-2-[(1-benzyl-2-methylpyrrolidin-2-yl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010859
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea (CID 99702276) is 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cn1.
What is the InChIKey of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is NALKGIBYIXBWKL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5O/c1-18(14-19-17(24)21-16-11-20-22(2)13-16)9-6-10-23(18)12-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12,14H2,1-2H3,(H2,19,21,24)/t18-/m1/s1.
What are the key properties of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea?
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 99702276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).