1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea

C19H27N5O — CID 119034887

IUPAC1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)C1c1ccccc1
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-13-15(12-20-24)21-18(25)22-16-10-11-23(4)17(16)14-8-6-5-7-9-14/h5-9,12-13,16-17H,10-11H2,1-4H3,(H2,21,22,25)
InChIKeyGBBACJTZBQRYRA-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.20
Rot. Bonds3

About 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea

1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea (PubChem CID 119034887) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea
PubChem CID119034887
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)C1c1ccccc1
InChIInChI=1S/C19H27N5O/c1-19(2,3)24-13-15(12-20-24)21-18(25)22-16-10-11-23(4)17(16)14-8-6-5-7-9-14/h5-9,12-13,16-17H,10-11H2,1-4H3,(H2,21,22,25)
InChIKeyGBBACJTZBQRYRA-UHFFFAOYSA-N
XLogP3.20
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea
CID 99828968
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 124829856
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 99828887
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 129397802
2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 138042286
N-(1-tert-butylpyrazol-4-yl)-2-methylsulfonylbenzamide
CID 86860481
4-[[[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 122008177
N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 86861977
(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide
CID 124863962
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861
N-(1-tert-butylpyrazol-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304511
N-(1-tert-butylpyrazol-4-yl)-4-(1,3-dithian-2-yl)benzamide
CID 86860524

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea (CID 119034887) is 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea is CN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)C1c1ccccc1.
What is the InChIKey of 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea?
The InChIKey is GBBACJTZBQRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)24-13-15(12-20-24)21-18(25)22-16-10-11-23(4)17(16)14-8-6-5-7-9-14/h5-9,12-13,16-17H,10-11H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea?
1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea has a molecular weight of 341.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 119034887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).