1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea

C17H19N5O2 — CID 99703802

IUPAC1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCc1ccc(Cn2nccc2NC(=O)N[C@H](C)c2ccncc2)o1
InChIInChI=1S/C17H19N5O2/c1-12-3-4-15(24-12)11-22-16(7-10-19-22)21-17(23)20-13(2)14-5-8-18-9-6-14/h3-10,13H,11H2,1-2H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyKTCJNVMRGLFCRO-CYBMUJFWSA-N
MW325.37 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea

1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea (PubChem CID 99703802) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea
PubChem CID99703802
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCc1ccc(Cn2nccc2NC(=O)N[C@H](C)c2ccncc2)o1
InChIInChI=1S/C17H19N5O2/c1-12-3-4-15(24-12)11-22-16(7-10-19-22)21-17(23)20-13(2)14-5-8-18-9-6-14/h3-10,13H,11H2,1-2H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyKTCJNVMRGLFCRO-CYBMUJFWSA-N
XLogP3.11
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea
CID 86800389
2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide
CID 71883351
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 71885828
N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474664
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
CID 9166056
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 75435278
1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95273993
1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea
CID 119034354

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea (CID 99703802) is 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea is Cc1ccc(Cn2nccc2NC(=O)N[C@H](C)c2ccncc2)o1.
What is the InChIKey of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
The InChIKey is KTCJNVMRGLFCRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-3-4-15(24-12)11-22-16(7-10-19-22)21-17(23)20-13(2)14-5-8-18-9-6-14/h3-10,13H,11H2,1-2H3,(H2,20,21,23)/t13-/m1/s1.
What are the key properties of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea has a molecular weight of 325.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 99703802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).