(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine

C16H21N3 — CID 63976828

IUPAC(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3/c1-2-12-19-14(8-11-18-19)15(17)16(9-10-16)13-6-4-3-5-7-13/h3-8,11,15H,2,9-10,12,17H2,1H3
InChIKeyTWFWIJRQKIFWQD-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.02
Rot. Bonds5

About (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine

(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 63976828) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID63976828
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3/c1-2-12-19-14(8-11-18-19)15(17)16(9-10-16)13-6-4-3-5-7-13/h3-8,11,15H,2,9-10,12,17H2,1H3
InChIKeyTWFWIJRQKIFWQD-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 80683782
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63977043
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanamine
CID 63976573
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
[(1-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105253298
[(2-ethylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217491
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanamine
CID 63975391

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine (CID 63976828) is (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is TWFWIJRQKIFWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-12-19-14(8-11-18-19)15(17)16(9-10-16)13-6-4-3-5-7-13/h3-8,11,15H,2,9-10,12,17H2,1H3.
What are the key properties of (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine?
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63976828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).