1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol

C13H21N3O — CID 3397368

IUPAC1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
SMILESC=CCN(CC=C)CC(O)Cn1ccc(C)n1
InChIInChI=1S/C13H21N3O/c1-4-7-15(8-5-2)10-13(17)11-16-9-6-12(3)14-16/h4-6,9,13,17H,1-2,7-8,10-11H2,3H3
InChIKeyZNCPAHRXDPXRCK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds8

About 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol

1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol (PubChem CID 3397368) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
PubChem CID3397368
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
SMILESC=CCN(CC=C)CC(O)Cn1ccc(C)n1
InChIInChI=1S/C13H21N3O/c1-4-7-15(8-5-2)10-13(17)11-16-9-6-12(3)14-16/h4-6,9,13,17H,1-2,7-8,10-11H2,3H3
InChIKeyZNCPAHRXDPXRCK-UHFFFAOYSA-N
XLogP1.23
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 40560868
(2S)-1-amino-3-(3-methylpyrazol-1-yl)propan-2-ol
CID 95366494
2-amino-3-(3-methylpyrazol-1-yl)propan-1-ol
CID 64809484
4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol
CID 117068366
(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propan-1-amine
CID 42552280
1-amino-4-(3-methylpyrazol-1-yl)butan-2-ol
CID 64821875
argon;ethane;1-ethyl-3-methylpyrazole
CID 160730731
1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116377
(E)-4-(dimethylamino)-N-[2-methyl-3-(3-methylpyrazol-1-yl)propyl]but-2-enamide
CID 146098423
(4S,5S)-7-[(2S)-3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 100900773
2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid
CID 64582293
1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
CID 107522751

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol (CID 3397368) is 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol is C=CCN(CC=C)CC(O)Cn1ccc(C)n1.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol?
The InChIKey is ZNCPAHRXDPXRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-7-15(8-5-2)10-13(17)11-16-9-6-12(3)14-16/h4-6,9,13,17H,1-2,7-8,10-11H2,3H3.
What are the key properties of 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol?
1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]-3-(3-methylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 3397368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).