1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea

C18H19N5O2 — CID 122159595

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C18H19N5O2/c1-12-17(13(2)23-22-12)21-18(24)20-15-8-9-19-16(10-15)25-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,23)(H2,19,20,21,24)
InChIKeyLKDCLMTUYXLLFY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.64
Rot. Bonds5

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea (PubChem CID 122159595) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
PubChem CID122159595
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C18H19N5O2/c1-12-17(13(2)23-22-12)21-18(24)20-15-8-9-19-16(10-15)25-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,23)(H2,19,20,21,24)
InChIKeyLKDCLMTUYXLLFY-UHFFFAOYSA-N
XLogP3.64
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea
CID 75434348
(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide
CID 122159596
methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate
CID 119051586
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795
7-fluoro-N-(2-phenylmethoxy-4-pyridinyl)quinoxaline-5-carboxamide
CID 166179906
1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
CID 153390147
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 124552881
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 75434316

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea (CID 122159595) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea is Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea?
The InChIKey is LKDCLMTUYXLLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-17(13(2)23-22-12)21-18(24)20-15-8-9-19-16(10-15)25-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,23)(H2,19,20,21,24).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea has a molecular weight of 337.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea is sourced from PubChem (CID 122159595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).