N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride

C20H29Cl2N5O2 — CID 154893708

IUPACN-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
SMILESCOc1cc(NC(=O)CCc2cc3n(n2)CCNC3)ccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C20H27N5O2.2ClH/c1-27-19-13-15(4-6-18(19)24-9-2-3-10-24)22-20(26)7-5-16-12-17-14-21-8-11-25(17)23-16;;/h4,6,12-13,21H,2-3,5,7-11,14H2,1H3,(H,22,26);2*1H
InChIKeyZVCMBRANNVKJOX-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.01
Rot. Bonds6

About N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride

N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride (PubChem CID 154893708) has the molecular formula C20H29Cl2N5O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
PubChem CID154893708
Molecular FormulaC20H29Cl2N5O2
Molecular Weight442.39 g/mol
Exact Mass441.17
IUPAC NameN-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
SMILESCOc1cc(NC(=O)CCc2cc3n(n2)CCNC3)ccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C20H27N5O2.2ClH/c1-27-19-13-15(4-6-18(19)24-9-2-3-10-24)22-20(26)7-5-16-12-17-14-21-8-11-25(17)23-16;;/h4,6,12-13,21H,2-3,5,7-11,14H2,1H3,(H,22,26);2*1H
InChIKeyZVCMBRANNVKJOX-UHFFFAOYSA-N
XLogP3.01
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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N,N-dimethyl-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
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CID 154893788
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride (CID 154893708) is N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride is COc1cc(NC(=O)CCc2cc3n(n2)CCNC3)ccc1N1CCCC1.Cl.Cl.
What is the InChIKey of N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
The InChIKey is ZVCMBRANNVKJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.2ClH/c1-27-19-13-15(4-6-18(19)24-9-2-3-10-24)22-20(26)7-5-16-12-17-14-21-8-11-25(17)23-16;;/h4,6,12-13,21H,2-3,5,7-11,14H2,1H3,(H,22,26);2*1H.
What are the key properties of N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?
N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride has a molecular weight of 442.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 154893708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).