(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine

C12H17N3O — CID 95290591

IUPAC(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2ccco2)c1
InChIInChI=1S/C12H17N3O/c1-10-6-14-15(8-10)9-11(2)13-7-12-4-3-5-16-12/h3-6,8,11,13H,7,9H2,1-2H3/t11-/m0/s1
InChIKeyWHMIQPBSYSSWSE-NSHDSACASA-N
MW219.29 g/mol
LogP1.96
Rot. Bonds5

About (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine

(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 95290591) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID95290591
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2ccco2)c1
InChIInChI=1S/C12H17N3O/c1-10-6-14-15(8-10)9-11(2)13-7-12-4-3-5-16-12/h3-6,8,11,13H,7,9H2,1-2H3/t11-/m0/s1
InChIKeyWHMIQPBSYSSWSE-NSHDSACASA-N
XLogP1.96
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95306746
N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
CID 95757700
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404
(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290669
(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95287787
(2S)-N-[(5-fluoroquinolin-8-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95608969
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 95750431
(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95292873

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 95290591) is (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine is Cc1cnn(C[C@H](C)NCc2ccco2)c1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is WHMIQPBSYSSWSE-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-6-14-15(8-10)9-11(2)13-7-12-4-3-5-16-12/h3-6,8,11,13H,7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine?
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95290591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).