N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide

C21H20N6O4 — CID 19509839

IUPACN-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cn(C)nc3C(=O)NCc3ccco3)[nH]n2)c1
InChIInChI=1S/C21H20N6O4/c1-27-12-18(19(26-27)21(29)22-11-15-7-4-8-31-15)23-20(28)17-10-16(24-25-17)13-5-3-6-14(9-13)30-2/h3-10,12H,11H2,1-2H3,(H,22,29)(H,23,28)(H,24,25)
InChIKeyBTHURVDKJDQOSF-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.59
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide

N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide (PubChem CID 19509839) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide
PubChem CID19509839
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC NameN-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cn(C)nc3C(=O)NCc3ccco3)[nH]n2)c1
InChIInChI=1S/C21H20N6O4/c1-27-12-18(19(26-27)21(29)22-11-15-7-4-8-31-15)23-20(28)17-10-16(24-25-17)13-5-3-6-14(9-13)30-2/h3-10,12H,11H2,1-2H3,(H,22,29)(H,23,28)(H,24,25)
InChIKeyBTHURVDKJDQOSF-UHFFFAOYSA-N
XLogP2.59
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341664
3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464488
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400201
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400521
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
N-(furan-2-ylmethyl)-1-methyl-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19509229
4-[(4-chloro-5-nitro-1H-pyrazole-3-carbonyl)amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 135803724
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400443
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide (CID 19509839) is N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cn(C)nc3C(=O)NCc3ccco3)[nH]n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide?
The InChIKey is BTHURVDKJDQOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c1-27-12-18(19(26-27)21(29)22-11-15-7-4-8-31-15)23-20(28)17-10-16(24-25-17)13-5-3-6-14(9-13)30-2/h3-10,12H,11H2,1-2H3,(H,22,29)(H,23,28)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19509839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).