1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea

C20H21N5O3 — CID 126792061

IUPAC1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccc(OC2CCOC2)cc1)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C20H21N5O3/c26-20(22-16-1-3-17(4-2-16)28-18-8-12-27-14-18)23-19-7-11-25(24-19)13-15-5-9-21-10-6-15/h1-7,9-11,18H,8,12-14H2,(H2,22,23,24,26)
InChIKeyKGYXAEOKXCFBAZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.14
Rot. Bonds6

About 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea

1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea (PubChem CID 126792061) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
PubChem CID126792061
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccc(OC2CCOC2)cc1)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C20H21N5O3/c26-20(22-16-1-3-17(4-2-16)28-18-8-12-27-14-18)23-19-7-11-25(24-19)13-15-5-9-21-10-6-15/h1-7,9-11,18H,8,12-14H2,(H2,22,23,24,26)
InChIKeyKGYXAEOKXCFBAZ-UHFFFAOYSA-N
XLogP3.14
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea with MolForge

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Related Compounds

1-(4-methylsulfanylphenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 99836283
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
4-(aminomethyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]oxane-4-carboxamide;dihydrochloride
CID 120940634
2-(cyclopropylmethylamino)-N-[4-(oxolan-3-yloxy)phenyl]acetamide;hydrochloride
CID 119798675
1-[4-(oxolan-3-yloxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 126776533
1-(2,5-dichlorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 51130131
1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166231337
2-cyclopentyloxy-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 56789307
1-(3,4-dihydro-2H-chromen-3-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 126794302
4-methyl-4-[[4-(oxolan-3-yloxy)phenyl]carbamoylamino]pentanoic acid
CID 122085302
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871238
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea (CID 126792061) is 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea is O=C(Nc1ccc(OC2CCOC2)cc1)Nc1ccn(Cc2ccncc2)n1.
What is the InChIKey of 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is KGYXAEOKXCFBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-20(22-16-1-3-17(4-2-16)28-18-8-12-27-14-18)23-19-7-11-25(24-19)13-15-5-9-21-10-6-15/h1-7,9-11,18H,8,12-14H2,(H2,22,23,24,26).
What are the key properties of 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 379.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-yloxy)phenyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 126792061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).