N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine

C20H26N4OS — CID 49250862

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCC2CCCN(Cc3cccs3)C2)o1
InChIInChI=1S/C20H26N4OS/c1-15-6-7-19(25-15)20-17(12-22-23-20)11-21-10-16-4-2-8-24(13-16)14-18-5-3-9-26-18/h3,5-7,9,12,16,21H,2,4,8,10-11,13-14H2,1H3,(H,22,23)
InChIKeyXQXNFPNNYYMXSK-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.04
Rot. Bonds7

About N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine (PubChem CID 49250862) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine
PubChem CID49250862
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCC2CCCN(Cc3cccs3)C2)o1
InChIInChI=1S/C20H26N4OS/c1-15-6-7-19(25-15)20-17(12-22-23-20)11-21-10-16-4-2-8-24(13-16)14-18-5-3-9-26-18/h3,5-7,9,12,16,21H,2,4,8,10-11,13-14H2,1H3,(H,22,23)
InChIKeyXQXNFPNNYYMXSK-UHFFFAOYSA-N
XLogP4.04
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine with MolForge

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Related Compounds

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 43763630
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine
CID 166194627
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122307
1-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970535
3-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]methyl]benzoic acid
CID 122030782
1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
CID 56798033
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 38058413
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidine
CID 125007759
3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 103699966
1-(1-ethylpyrrolidin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233239

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine (CID 49250862) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine is Cc1ccc(-c2[nH]ncc2CNCC2CCCN(Cc3cccs3)C2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine?
The InChIKey is XQXNFPNNYYMXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15-6-7-19(25-15)20-17(12-22-23-20)11-21-10-16-4-2-8-24(13-16)14-18-5-3-9-26-18/h3,5-7,9,12,16,21H,2,4,8,10-11,13-14H2,1H3,(H,22,23).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine has a molecular weight of 370.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 49250862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).