1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine

C14H17N3 — CID 105484824

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1C1(N)CC1
InChIInChI=1S/C14H17N3/c1-10-13(14(15)8-9-14)11(2)17(16-10)12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3
InChIKeyBBFQQCFPVNHGJV-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.44
Rot. Bonds2

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 105484824) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID105484824
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1C1(N)CC1
InChIInChI=1S/C14H17N3/c1-10-13(14(15)8-9-14)11(2)17(16-10)12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3
InChIKeyBBFQQCFPVNHGJV-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene
CID 1120801
1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852263
[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
CID 116819017
3,5-dimethyl-1-phenyl-4-[(S)-phenylsulfinyl]pyrazole
CID 11860311
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 105475005

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine (CID 105484824) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine is Cc1nn(-c2ccccc2)c(C)c1C1(N)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is BBFQQCFPVNHGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-13(14(15)8-9-14)11(2)17(16-10)12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 105484824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).