N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine

C17H25N3 — CID 107331269

IUPACN-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-5-18-14(2)13-17(3,4)16-11-12-19-20(16)15-9-7-6-8-10-15/h6-12,14,18H,5,13H2,1-4H3
InChIKeyAYPUDVYZMHCKHZ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine

N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine (PubChem CID 107331269) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
PubChem CID107331269
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-5-18-14(2)13-17(3,4)16-11-12-19-20(16)15-9-7-6-8-10-15/h6-12,14,18H,5,13H2,1-4H3
InChIKeyAYPUDVYZMHCKHZ-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine
CID 64715540
3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 107331523
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
CID 107330039
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
1-amino-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107329988
N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330894
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 107330507
1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107330025
N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690474
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine (CID 107331269) is N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine is CCNC(C)CC(C)(C)c1ccnn1-c1ccccc1.
What is the InChIKey of N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine?
The InChIKey is AYPUDVYZMHCKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-18-14(2)13-17(3,4)16-11-12-19-20(16)15-9-7-6-8-10-15/h6-12,14,18H,5,13H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine?
N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 107331269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).