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

C16H21N5O — CID 95290669

IUPAC(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2cn[nH]c2-c2ccc(C)o2)c1
InChIInChI=1S/C16H21N5O/c1-11-6-19-21(9-11)10-12(2)17-7-14-8-18-20-16(14)15-5-4-13(3)22-15/h4-6,8-9,12,17H,7,10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyMSTXAYVSHVEGNV-GFCCVEGCSA-N
MW299.38 g/mol
LogP2.66
Rot. Bonds6

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

(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 95290669) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID95290669
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2cn[nH]c2-c2ccc(C)o2)c1
InChIInChI=1S/C16H21N5O/c1-11-6-19-21(9-11)10-12(2)17-7-14-8-18-20-16(14)15-5-4-13(3)22-15/h4-6,8-9,12,17H,7,10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyMSTXAYVSHVEGNV-GFCCVEGCSA-N
XLogP2.66
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
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CID 43756376
(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95287009
1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 94184895
(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
CID 104980741
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783911
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 166180902
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122307
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
CID 63997715
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 86808598
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 95290669) is (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is Cc1cnn(C[C@@H](C)NCc2cn[nH]c2-c2ccc(C)o2)c1.
What is the InChIKey of (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is MSTXAYVSHVEGNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-6-19-21(9-11)10-12(2)17-7-14-8-18-20-16(14)15-5-4-13(3)22-15/h4-6,8-9,12,17H,7,10H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 299.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95290669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).