4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C18H26N4 — CID 94821388

IUPAC4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H26N4/c1-13-16(18(21(2)3)22(4)20-13)12-19-17(15-10-11-15)14-8-6-5-7-9-14/h5-9,15,17,19H,10-12H2,1-4H3/t17-/m1/s1
InChIKeyYFKJYKKFXLCHRK-QGZVFWFLSA-N
MW298.43 g/mol
LogP3.04
Rot. Bonds6

About 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 94821388) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID94821388
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H26N4/c1-13-16(18(21(2)3)22(4)20-13)12-19-17(15-10-11-15)14-8-6-5-7-9-14/h5-9,15,17,19H,10-12H2,1-4H3/t17-/m1/s1
InChIKeyYFKJYKKFXLCHRK-QGZVFWFLSA-N
XLogP3.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 94821388) is 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CN[C@H](c1ccccc1)C1CC1.
What is the InChIKey of 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is YFKJYKKFXLCHRK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4/c1-13-16(18(21(2)3)22(4)20-13)12-19-17(15-10-11-15)14-8-6-5-7-9-14/h5-9,15,17,19H,10-12H2,1-4H3/t17-/m1/s1.
What are the key properties of 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 298.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 94821388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).