1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea

C19H21N5O — CID 11056782

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)16-12-17(24(23-16)15-9-5-4-6-10-15)22-18(25)21-14-8-7-11-20-13-14/h4-13H,1-3H3,(H2,21,22,25)
InChIKeyTVRPKAJOVUHTMP-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea (PubChem CID 11056782) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea
PubChem CID11056782
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)16-12-17(24(23-16)15-9-5-4-6-10-15)22-18(25)21-14-8-7-11-20-13-14/h4-13H,1-3H3,(H2,21,22,25)
InChIKeyTVRPKAJOVUHTMP-UHFFFAOYSA-N
XLogP4.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea (CID 11056782) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea is CC(C)(C)c1cc(NC(=O)Nc2cccnc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea?
The InChIKey is TVRPKAJOVUHTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-19(2,3)16-12-17(24(23-16)15-9-5-4-6-10-15)22-18(25)21-14-8-7-11-20-13-14/h4-13H,1-3H3,(H2,21,22,25).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea has a molecular weight of 335.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 11056782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).