4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C19H27ClN4O2 — CID 171706977

IUPAC4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCCCn1cc(NC(=O)c2ccc(OC)c(CC3CCNC3)c2)cn1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-3-8-23-13-17(12-21-23)22-19(24)15-4-5-18(25-2)16(10-15)9-14-6-7-20-11-14;/h4-5,10,12-14,20H,3,6-9,11H2,1-2H3,(H,22,24);1H
InChIKeyJOQUSWDHIZFGER-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.13
Rot. Bonds7

About 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171706977) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171706977
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCCCn1cc(NC(=O)c2ccc(OC)c(CC3CCNC3)c2)cn1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-3-8-23-13-17(12-21-23)22-19(24)15-4-5-18(25-2)16(10-15)9-14-6-7-20-11-14;/h4-5,10,12-14,20H,3,6-9,11H2,1-2H3,(H,22,24);1H
InChIKeyJOQUSWDHIZFGER-UHFFFAOYSA-N
XLogP3.13
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712061
4-methoxy-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
CID 171687182
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171707629
N-(1-propyltriazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171708016
N-[1-(2-fluorophenyl)piperidin-4-yl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide
CID 166621811
4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 95726413
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410996
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
methyl 1-methyl-5-[[3-(pyrrolidin-3-ylmethyl)benzoyl]amino]pyrazole-4-carboxylate;hydrochloride
CID 171710874

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171706977) is 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is CCCn1cc(NC(=O)c2ccc(OC)c(CC3CCNC3)c2)cn1.Cl.
What is the InChIKey of 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is JOQUSWDHIZFGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-3-8-23-13-17(12-21-23)22-19(24)15-4-5-18(25-2)16(10-15)9-14-6-7-20-11-14;/h4-5,10,12-14,20H,3,6-9,11H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171706977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).