N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

C17H21N5O2 — CID 42290712

IUPACN-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)o1
InChIInChI=1S/C17H21N5O2/c1-11(2)16-18-6-7-22(16)10-13-8-15(21-20-13)17(23)19-9-14-5-4-12(3)24-14/h4-8,11H,9-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyPPMLWMXXBLWNAH-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.61
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42290712) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42290712
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)o1
InChIInChI=1S/C17H21N5O2/c1-11(2)16-18-6-7-22(16)10-13-8-15(21-20-13)17(23)19-9-14-5-4-12(3)24-14/h4-8,11H,9-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyPPMLWMXXBLWNAH-UHFFFAOYSA-N
XLogP2.61
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42290712) is N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is PPMLWMXXBLWNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)16-18-6-7-22(16)10-13-8-15(21-20-13)17(23)19-9-14-5-4-12(3)24-14/h4-8,11H,9-10H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42290712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).