1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine

C14H17N5O — CID 19627663

IUPAC1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine
SMILESCCn1ccc(CNCc2cc(-c3ccco3)n[nH]2)n1
InChIInChI=1S/C14H17N5O/c1-2-19-6-5-11(18-19)9-15-10-12-8-13(17-16-12)14-4-3-7-20-14/h3-8,15H,2,9-10H2,1H3,(H,16,17)
InChIKeyDNHLWMQHZPDGBL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.18
Rot. Bonds6

About 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine

1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine (PubChem CID 19627663) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine
PubChem CID19627663
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine
SMILESCCn1ccc(CNCc2cc(-c3ccco3)n[nH]2)n1
InChIInChI=1S/C14H17N5O/c1-2-19-6-5-11(18-19)9-15-10-12-8-13(17-16-12)14-4-3-7-20-14/h3-8,15H,2,9-10H2,1H3,(H,16,17)
InChIKeyDNHLWMQHZPDGBL-UHFFFAOYSA-N
XLogP2.18
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190066
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190191
1-(4-fluorophenyl)-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}-1,4-diazepane
CID 56884532
1-[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 70783527
(S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)propan-2-yl)-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 52919708
N-[2-(dimethylamino)ethyl]-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5308038
1-[(3-methylpyridin-2-yl)methyl]-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazine
CID 50953242
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 53536230
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53566927
(2S,4S)-4-amino-N-ethyl-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}pyrrolidine-2-carboxamide
CID 56709916
1-(2,6-dimethyl-4-pyridinyl)-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazine
CID 56915707

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine (CID 19627663) is 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine is CCn1ccc(CNCc2cc(-c3ccco3)n[nH]2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine?
The InChIKey is DNHLWMQHZPDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-19-6-5-11(18-19)9-15-10-12-8-13(17-16-12)14-4-3-7-20-14/h3-8,15H,2,9-10H2,1H3,(H,16,17).
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine?
1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine has a molecular weight of 271.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 19627663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).