3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride

C14H26Cl2N4O — CID 119532209

IUPAC3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCc1cnn(C)c1)C1CCNC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-3-8-18(13-6-7-15-10-13)14(19)5-4-12-9-16-17(2)11-12;;/h9,11,13,15H,3-8,10H2,1-2H3;2*1H
InChIKeyKQLQXBHIADYOGM-UHFFFAOYSA-N
MW337.30 g/mol
LogP1.80
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride

3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (PubChem CID 119532209) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
PubChem CID119532209
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC Name3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCc1cnn(C)c1)C1CCNC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-3-8-18(13-6-7-15-10-13)14(19)5-4-12-9-16-17(2)11-12;;/h9,11,13,15H,3-8,10H2,1-2H3;2*1H
InChIKeyKQLQXBHIADYOGM-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
CID 103023696
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119530274
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 126773837
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530440

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (CID 119532209) is 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is CCCN(C(=O)CCc1cnn(C)c1)C1CCNC1.Cl.Cl.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The InChIKey is KQLQXBHIADYOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-3-8-18(13-6-7-15-10-13)14(19)5-4-12-9-16-17(2)11-12;;/h9,11,13,15H,3-8,10H2,1-2H3;2*1H.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119532209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).