1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

C22H26N6O — CID 47041007

IUPAC1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C22H26N6O/c1-26(15-19-14-24-28(17-19)16-18-8-3-2-4-9-18)22(29)25-20-10-7-11-23-21(20)27-12-5-6-13-27/h2-4,7-11,14,17H,5-6,12-13,15-16H2,1H3,(H,25,29)
InChIKeyOBIRHJGIUYWSJU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.59
Rot. Bonds6

About 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 47041007) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID47041007
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C22H26N6O/c1-26(15-19-14-24-28(17-19)16-18-8-3-2-4-9-18)22(29)25-20-10-7-11-23-21(20)27-12-5-6-13-27/h2-4,7-11,14,17H,5-6,12-13,15-16H2,1H3,(H,25,29)
InChIKeyOBIRHJGIUYWSJU-UHFFFAOYSA-N
XLogP3.59
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24528551
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2-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 154779289
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31963518
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CID 94097512
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 31080299
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (CID 47041007) is 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is OBIRHJGIUYWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26(15-19-14-24-28(17-19)16-18-8-3-2-4-9-18)22(29)25-20-10-7-11-23-21(20)27-12-5-6-13-27/h2-4,7-11,14,17H,5-6,12-13,15-16H2,1H3,(H,25,29).
What are the key properties of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 390.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 47041007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).