N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine

C13H25N3 — CID 63976154

IUPACN-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(CC(C)C)NCC
InChIInChI=1S/C13H25N3/c1-5-9-16-13(7-8-15-16)12(14-6-2)10-11(3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyACNHCHDCTWSUPP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds7

About N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine

N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine (PubChem CID 63976154) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
PubChem CID63976154
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(CC(C)C)NCC
InChIInChI=1S/C13H25N3/c1-5-9-16-13(7-8-15-16)12(14-6-2)10-11(3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyACNHCHDCTWSUPP-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857679
N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 105148237
N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 116720430
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine
CID 64715540

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine (CID 63976154) is N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine is CCCn1nccc1C(CC(C)C)NCC.
What is the InChIKey of N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The InChIKey is ACNHCHDCTWSUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-9-16-13(7-8-15-16)12(14-6-2)10-11(3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 63976154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).