N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide

C15H17N5O3 — CID 126811714

IUPACN-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
SMILESCc1occc1-c1cc(NC(=O)c2cncn2C)n(CCO)n1
InChIInChI=1S/C15H17N5O3/c1-10-11(3-6-23-10)12-7-14(20(18-12)4-5-21)17-15(22)13-8-16-9-19(13)2/h3,6-9,21H,4-5H2,1-2H3,(H,17,22)
InChIKeyQYCLIBKNFJEBTA-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide

N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide (PubChem CID 126811714) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
PubChem CID126811714
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
SMILESCc1occc1-c1cc(NC(=O)c2cncn2C)n(CCO)n1
InChIInChI=1S/C15H17N5O3/c1-10-11(3-6-23-10)12-7-14(20(18-12)4-5-21)17-15(22)13-8-16-9-19(13)2/h3,6-9,21H,4-5H2,1-2H3,(H,17,22)
InChIKeyQYCLIBKNFJEBTA-UHFFFAOYSA-N
XLogP1.43
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide (CID 126811714) is N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide is Cc1occc1-c1cc(NC(=O)c2cncn2C)n(CCO)n1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
The InChIKey is QYCLIBKNFJEBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-11(3-6-23-10)12-7-14(20(18-12)4-5-21)17-15(22)13-8-16-9-19(13)2/h3,6-9,21H,4-5H2,1-2H3,(H,17,22).
What are the key properties of N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 126811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).