1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea

C19H27N5O — CID 99839457

IUPAC1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-2-11-24-18(8-10-21-24)22-19(25)20-13-17-9-12-23(15-17)14-16-6-4-3-5-7-16/h3-8,10,17H,2,9,11-15H2,1H3,(H2,20,22,25)/t17-/m0/s1
InChIKeyFXFPEBCWLPTUTE-KRWDZBQOSA-N
MW341.46 g/mol
LogP2.94
Rot. Bonds7

About 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea

1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea (PubChem CID 99839457) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
PubChem CID99839457
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-2-11-24-18(8-10-21-24)22-19(25)20-13-17-9-12-23(15-17)14-16-6-4-3-5-7-16/h3-8,10,17H,2,9,11-15H2,1H3,(H2,20,22,25)/t17-/m0/s1
InChIKeyFXFPEBCWLPTUTE-KRWDZBQOSA-N
XLogP2.94
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 99839974
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea?
The IUPAC name of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea (CID 99839457) is 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea is CCCn1nccc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea?
The InChIKey is FXFPEBCWLPTUTE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-11-24-18(8-10-21-24)22-19(25)20-13-17-9-12-23(15-17)14-16-6-4-3-5-7-16/h3-8,10,17H,2,9,11-15H2,1H3,(H2,20,22,25)/t17-/m0/s1.
What are the key properties of 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea?
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea has a molecular weight of 341.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea is sourced from PubChem (CID 99839457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).