3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine

C16H29ClN4 — CID 114664361

IUPAC3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1c(Cl)cnn1CCN(C)C)C1CC1
InChIInChI=1S/C16H29ClN4/c1-4-9-18-15(13-5-6-13)7-8-16-14(17)12-19-21(16)11-10-20(2)3/h12-13,15,18H,4-11H2,1-3H3
InChIKeyDBTFYHRNNRFSHQ-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.81
Rot. Bonds10

About 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine (PubChem CID 114664361) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
PubChem CID114664361
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1c(Cl)cnn1CCN(C)C)C1CC1
InChIInChI=1S/C16H29ClN4/c1-4-9-18-15(13-5-6-13)7-8-16-14(17)12-19-21(16)11-10-20(2)3/h12-13,15,18H,4-11H2,1-3H3
InChIKeyDBTFYHRNNRFSHQ-UHFFFAOYSA-N
XLogP2.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664348
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664344
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine
CID 114664173
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-3-amine
CID 114663857
N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655933
2-[5-(3-chloro-3-cyclopropylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665294
N-[1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethylsulfanylethyl]propan-1-amine
CID 114653523
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 63912618
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine
CID 63401428

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine?
The IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine (CID 114664361) is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine is CCCNC(CCc1c(Cl)cnn1CCN(C)C)C1CC1.
What is the InChIKey of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine?
The InChIKey is DBTFYHRNNRFSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN4/c1-4-9-18-15(13-5-6-13)7-8-16-14(17)12-19-21(16)11-10-20(2)3/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine?
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine has a molecular weight of 312.89 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine is sourced from PubChem (CID 114664361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).