1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol

C17H27N3O2 — CID 145270781

IUPAC1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol
SMILESCO.COCCN(c1ccn(Cc2ccccc2)n1)C(C)C
InChIInChI=1S/C16H23N3O.CH4O/c1-14(2)19(11-12-20-3)16-9-10-18(17-16)13-15-7-5-4-6-8-15;1-2/h4-10,14H,11-13H2,1-3H3;2H,1H3
InChIKeyBGLXSKFUHJVIPE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.40
Rot. Bonds7

About 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol

1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol (PubChem CID 145270781) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol
PubChem CID145270781
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol
SMILESCO.COCCN(c1ccn(Cc2ccccc2)n1)C(C)C
InChIInChI=1S/C16H23N3O.CH4O/c1-14(2)19(11-12-20-3)16-9-10-18(17-16)13-15-7-5-4-6-8-15;1-2/h4-10,14H,11-13H2,1-3H3;2H,1H3
InChIKeyBGLXSKFUHJVIPE-UHFFFAOYSA-N
XLogP2.40
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
CID 42282856
ethyl 2-[(1-benzylpyrazol-3-yl)-(2-cyanoethyl)amino]acetate
CID 126672249
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
CID 82960163
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82948148
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 82950912
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
(2R)-2-imidazol-1-yl-N-(2-methoxyethyl)-N-(3-phenylpropyl)propanamide
CID 95235203
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
(E)-3-[6-[2-methoxyethyl(propan-2-yl)amino]-3-pyridinyl]prop-2-enoic acid
CID 82959726

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol?
The IUPAC name of 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol (CID 145270781) is 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol.
What is the SMILES notation for 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol?
The canonical SMILES for 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol is CO.COCCN(c1ccn(Cc2ccccc2)n1)C(C)C.
What is the InChIKey of 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol?
The InChIKey is BGLXSKFUHJVIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.CH4O/c1-14(2)19(11-12-20-3)16-9-10-18(17-16)13-15-7-5-4-6-8-15;1-2/h4-10,14H,11-13H2,1-3H3;2H,1H3.
What are the key properties of 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol?
1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol has a molecular weight of 305.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methoxyethyl)-N-propan-2-ylpyrazol-3-amine;methanol is sourced from PubChem (CID 145270781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).