2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

C18H29N5O — CID 119122307

IUPAC2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCC(C)CN2CCN(C)CC2)o1
InChIInChI=1S/C18H29N5O/c1-14(13-23-8-6-22(3)7-9-23)10-19-11-16-12-20-21-18(16)17-5-4-15(2)24-17/h4-5,12,14,19H,6-11,13H2,1-3H3,(H,20,21)
InChIKeyFEEXQVDNWJAIBP-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.95
Rot. Bonds7

About 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 119122307) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID119122307
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNCC(C)CN2CCN(C)CC2)o1
InChIInChI=1S/C18H29N5O/c1-14(13-23-8-6-22(3)7-9-23)10-19-11-16-12-20-21-18(16)17-5-4-15(2)24-17/h4-5,12,14,19H,6-11,13H2,1-3H3,(H,20,21)
InChIKeyFEEXQVDNWJAIBP-UHFFFAOYSA-N
XLogP1.95
TPSA60.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 119122307) is 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is Cc1ccc(-c2[nH]ncc2CNCC(C)CN2CCN(C)CC2)o1.
What is the InChIKey of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is FEEXQVDNWJAIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(13-23-8-6-22(3)7-9-23)10-19-11-16-12-20-21-18(16)17-5-4-15(2)24-17/h4-5,12,14,19H,6-11,13H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 119122307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).