5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine

C16H21N3 — CID 63530445

IUPAC5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
SMILESCC(C)(C)c1ccc(-c2cc(NC3CC3)n[nH]2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)12-6-4-11(5-7-12)14-10-15(19-18-14)17-13-8-9-13/h4-7,10,13H,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyXMLKDPDYVMKHNT-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.95
Rot. Bonds3

About 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine

5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine (PubChem CID 63530445) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
PubChem CID63530445
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
SMILESCC(C)(C)c1ccc(-c2cc(NC3CC3)n[nH]2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)12-6-4-11(5-7-12)14-10-15(19-18-14)17-13-8-9-13/h4-7,10,13H,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyXMLKDPDYVMKHNT-UHFFFAOYSA-N
XLogP3.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(cyclopropylamino)-1H-pyrazol-5-yl]benzonitrile
CID 63048314
N-cyclopropyl-5-thiophen-3-yl-1H-pyrazol-3-amine
CID 63048501
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 63048660
N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 63049199
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697922
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
N-cyclopropyl-5-(2-fluorophenyl)-1H-pyrazol-3-amine
CID 63049345
5-(5-bromothiophen-2-yl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 63049348
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine (CID 63530445) is 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine is CC(C)(C)c1ccc(-c2cc(NC3CC3)n[nH]2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
The InChIKey is XMLKDPDYVMKHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)12-6-4-11(5-7-12)14-10-15(19-18-14)17-13-8-9-13/h4-7,10,13H,8-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine has a molecular weight of 255.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63530445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).