1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine

C14H25ClN4O — CID 114661350

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H25ClN4O/c1-4-20-14(10-5-6-10)12(16)13-11(15)9-17-19(13)8-7-18(2)3/h9-10,12,14H,4-8,16H2,1-3H3
InChIKeyHKEZNWAYHNOLAP-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.91
Rot. Bonds8

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine (PubChem CID 114661350) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine
PubChem CID114661350
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C14H25ClN4O/c1-4-20-14(10-5-6-10)12(16)13-11(15)9-17-19(13)8-7-18(2)3/h9-10,12,14H,4-8,16H2,1-3H3
InChIKeyHKEZNWAYHNOLAP-UHFFFAOYSA-N
XLogP1.91
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-amine
CID 105039116
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol
CID 114645722
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
2-[5-[amino-(2,2-dimethylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190917
2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105235309
2-[5-[amino-(3-methyl-1,4-dithian-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114659518
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 114656737

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine (CID 114661350) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine is CCOC(C1CC1)C(N)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine?
The InChIKey is HKEZNWAYHNOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-4-20-14(10-5-6-10)12(16)13-11(15)9-17-19(13)8-7-18(2)3/h9-10,12,14H,4-8,16H2,1-3H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine has a molecular weight of 300.83 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine is sourced from PubChem (CID 114661350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).