N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C17H24N4O3 — CID 74241448

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2ccc(CN3CCCC3)o2)[nH]n1
InChIInChI=1S/C17H24N4O3/c1-20(10-13-9-14(12-23-2)19-18-13)17(22)16-6-5-15(24-16)11-21-7-3-4-8-21/h5-6,9H,3-4,7-8,10-12H2,1-2H3,(H,18,19)
InChIKeyBFMPVNNWNPDGJO-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.02
Rot. Bonds7

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 74241448) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID74241448
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2ccc(CN3CCCC3)o2)[nH]n1
InChIInChI=1S/C17H24N4O3/c1-20(10-13-9-14(12-23-2)19-18-13)17(22)16-6-5-15(24-16)11-21-7-3-4-8-21/h5-6,9H,3-4,7-8,10-12H2,1-2H3,(H,18,19)
InChIKeyBFMPVNNWNPDGJO-UHFFFAOYSA-N
XLogP2.02
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131918393
N-methyl-5-[(4-methylpiperazin-1-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]furan-2-carboxamide
CID 74232354
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-benzyl-N-methylfuran-2-carboxamide
CID 42858775
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131946611
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
methyl 5-[[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3868569
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
2-[4-[5-(methoxymethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858877
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 74241448) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is COCc1cc(CN(C)C(=O)c2ccc(CN3CCCC3)o2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is BFMPVNNWNPDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20(10-13-9-14(12-23-2)19-18-13)17(22)16-6-5-15(24-16)11-21-7-3-4-8-21/h5-6,9H,3-4,7-8,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 74241448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).