(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine

C17H25N3 — CID 130465956

IUPAC(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
SMILESCC(C)[C@@H](C)[C@H](c1cnn(-c2ccccc2)c1)N(C)C
InChIInChI=1S/C17H25N3/c1-13(2)14(3)17(19(4)5)15-11-18-20(12-15)16-9-7-6-8-10-16/h6-14,17H,1-5H3/t14-,17-/m1/s1
InChIKeyNHRDVIGNENLAGJ-RHSMWYFYSA-N
MW271.41 g/mol
LogP3.77
Rot. Bonds5

About (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine

(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine (PubChem CID 130465956) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
PubChem CID130465956
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
SMILESCC(C)[C@@H](C)[C@H](c1cnn(-c2ccccc2)c1)N(C)C
InChIInChI=1S/C17H25N3/c1-13(2)14(3)17(19(4)5)15-11-18-20(12-15)16-9-7-6-8-10-16/h6-14,17H,1-5H3/t14-,17-/m1/s1
InChIKeyNHRDVIGNENLAGJ-RHSMWYFYSA-N
XLogP3.77
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
2-chloro-N,N-dimethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 62225528
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
4-(1-chloro-3-methylbutyl)-1-phenylpyrazole
CID 61085631
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine
CID 61429542
5-[1-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 81451490
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine?
The IUPAC name of (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine (CID 130465956) is (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine is CC(C)[C@@H](C)[C@H](c1cnn(-c2ccccc2)c1)N(C)C.
What is the InChIKey of (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine?
The InChIKey is NHRDVIGNENLAGJ-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)14(3)17(19(4)5)15-11-18-20(12-15)16-9-7-6-8-10-16/h6-14,17H,1-5H3/t14-,17-/m1/s1.
What are the key properties of (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine?
(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 130465956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).