1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea

C20H23N5O2 — CID 166231337

IUPAC1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
SMILESCC(NC(=O)Nc1ccn(Cc2ccncc2)n1)C(C)Oc1ccccc1
InChIInChI=1S/C20H23N5O2/c1-15(16(2)27-18-6-4-3-5-7-18)22-20(26)23-19-10-13-25(24-19)14-17-8-11-21-12-9-17/h3-13,15-16H,14H2,1-2H3,(H2,22,23,24,26)
InChIKeyDDMPFPMDAGSTDZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.30
Rot. Bonds7

About 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea

1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea (PubChem CID 166231337) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
PubChem CID166231337
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
SMILESCC(NC(=O)Nc1ccn(Cc2ccncc2)n1)C(C)Oc1ccccc1
InChIInChI=1S/C20H23N5O2/c1-15(16(2)27-18-6-4-3-5-7-18)22-20(26)23-19-10-13-25(24-19)14-17-8-11-21-12-9-17/h3-13,15-16H,14H2,1-2H3,(H2,22,23,24,26)
InChIKeyDDMPFPMDAGSTDZ-UHFFFAOYSA-N
XLogP3.30
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166209972
1-(4-methylsulfanylphenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 99836283
1-[(2-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 75422962
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
1-(2,5-dichlorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 51130131
1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 126792061
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
1-(3,4-dihydro-2H-chromen-3-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 126794302

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea (CID 166231337) is 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea is CC(NC(=O)Nc1ccn(Cc2ccncc2)n1)C(C)Oc1ccccc1.
What is the InChIKey of 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is DDMPFPMDAGSTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15(16(2)27-18-6-4-3-5-7-18)22-20(26)23-19-10-13-25(24-19)14-17-8-11-21-12-9-17/h3-13,15-16H,14H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 166231337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).