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

C15H25N5 — CID 164636946

IUPAC(2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(C[C@H](C)NCc2cn(C(C)C)nc2C)n[nH]1
InChIInChI=1S/C15H25N5/c1-10(2)20-9-14(13(5)19-20)8-16-11(3)6-15-7-12(4)17-18-15/h7,9-11,16H,6,8H2,1-5H3,(H,17,18)/t11-/m0/s1
InChIKeyIFCBADSEOCRDBY-NSHDSACASA-N
MW275.40 g/mol
LogP2.52
Rot. Bonds6

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

(2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (PubChem CID 164636946) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
PubChem CID164636946
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name(2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(C[C@H](C)NCc2cn(C(C)C)nc2C)n[nH]1
InChIInChI=1S/C15H25N5/c1-10(2)20-9-14(13(5)19-20)8-16-11(3)6-15-7-12(4)17-18-15/h7,9-11,16H,6,8H2,1-5H3,(H,17,18)/t11-/m0/s1
InChIKeyIFCBADSEOCRDBY-NSHDSACASA-N
XLogP2.52
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The IUPAC name of (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (CID 164636946) is (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is Cc1cc(C[C@H](C)NCc2cn(C(C)C)nc2C)n[nH]1.
What is the InChIKey of (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The InChIKey is IFCBADSEOCRDBY-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N5/c1-10(2)20-9-14(13(5)19-20)8-16-11(3)6-15-7-12(4)17-18-15/h7,9-11,16H,6,8H2,1-5H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
(2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 164636946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).