N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

C19H18N4O2S — CID 70775218

IUPACN-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N(Cc2ccco2)Cc2cccs2)[nH]n1
InChIInChI=1S/C19H18N4O2S/c1-22-8-2-7-18(22)16-11-17(21-20-16)19(24)23(12-14-5-3-9-25-14)13-15-6-4-10-26-15/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyZXOBSCQTVXGMHP-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.91
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 70775218) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID70775218
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)N(Cc2ccco2)Cc2cccs2)[nH]n1
InChIInChI=1S/C19H18N4O2S/c1-22-8-2-7-18(22)16-11-17(21-20-16)19(24)23(12-14-5-3-9-25-14)13-15-6-4-10-26-15/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyZXOBSCQTVXGMHP-UHFFFAOYSA-N
XLogP3.91
TPSA67.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
N-(3,5-difluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062382
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062384
N-(2-methoxyethyl)-3-(5-methyl-2-furyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70770209
N-[3-(dimethylamino)propyl]-4-[[4-[[4-(furan-2-yl)thiophene-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
CID 122180980
N-(furan-2-ylmethyl)-2-(3-(4-methylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl)acetamide
CID 30865720
2-methyl-4-[(2S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 124257299
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 5040790
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 32601711
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761836
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 43044142
(3-(thiophen-2-yl)-1H-pyrazol-5-yl)(3-((4-(trifluoromethyl)pyridin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 92090064

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 70775218) is N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)N(Cc2ccco2)Cc2cccs2)[nH]n1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZXOBSCQTVXGMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-22-8-2-7-18(22)16-11-17(21-20-16)19(24)23(12-14-5-3-9-25-14)13-15-6-4-10-26-15/h2-11H,12-13H2,1H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1-methylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70775218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).