(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine

C17H25N3 — CID 115857696

IUPAC(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-5-12-20-15(10-11-19-20)16(18)13-6-8-14(9-7-13)17(2,3)4/h6-11,16H,5,12,18H2,1-4H3
InChIKeyYTFALWPBSQBIMX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.64
Rot. Bonds4

About (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine

(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857696) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857696
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-5-12-20-15(10-11-19-20)16(18)13-6-8-14(9-7-13)17(2,3)4/h6-11,16H,5,12,18H2,1-4H3
InChIKeyYTFALWPBSQBIMX-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
(2-propylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148214
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanamine
CID 63976573
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine (CID 115857696) is (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is YTFALWPBSQBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-12-20-15(10-11-19-20)16(18)13-6-8-14(9-7-13)17(2,3)4/h6-11,16H,5,12,18H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine?
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).