[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone

C14H17N3O — CID 116548209

IUPAC[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H17N3O/c1-2-9-17-13(7-8-16-17)14(18)12-5-3-11(10-15)4-6-12/h3-8H,2,9-10,15H2,1H3
InChIKeyCIBVJZSXZJMBKB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.98
Rot. Bonds5

About [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone

[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 116548209) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
PubChem CID116548209
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H17N3O/c1-2-9-17-13(7-8-16-17)14(18)12-5-3-11(10-15)4-6-12/h3-8H,2,9-10,15H2,1H3
InChIKeyCIBVJZSXZJMBKB-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone (CID 116548209) is [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)c1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is CIBVJZSXZJMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-9-17-13(7-8-16-17)14(18)12-5-3-11(10-15)4-6-12/h3-8H,2,9-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone?
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 116548209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).