1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea

C20H23N5O2 — CID 68719444

IUPAC1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCc1c(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n[nH]c1C(C)(C)C
InChIInChI=1S/C20H23N5O2/c1-13-17(20(2,3)4)24-25-18(13)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-12H,1-4H3,(H3,22,23,24,25,26)
InChIKeyRWOFCJWZJRGMBS-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.85
Rot. Bonds4

About 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea

1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 68719444) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID68719444
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCc1c(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n[nH]c1C(C)(C)C
InChIInChI=1S/C20H23N5O2/c1-13-17(20(2,3)4)24-25-18(13)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-12H,1-4H3,(H3,22,23,24,25,26)
InChIKeyRWOFCJWZJRGMBS-UHFFFAOYSA-N
XLogP4.85
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea (CID 68719444) is 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea is Cc1c(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n[nH]c1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is RWOFCJWZJRGMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-17(20(2,3)4)24-25-18(13)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-12H,1-4H3,(H3,22,23,24,25,26).
What are the key properties of 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea?
1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 365.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 68719444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).