N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride

C19H29Cl2N5 — CID 154892757

IUPACN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
SMILESCN(Cc1cc2n(n1)CCNC2)CC1CCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H27N5.2ClH/c1-22(15-17-11-19-12-20-8-10-24(19)21-17)13-16-7-9-23(14-16)18-5-3-2-4-6-18;;/h2-6,11,16,20H,7-10,12-15H2,1H3;2*1H
InChIKeyHFRSRBNNAOLJGN-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.79
Rot. Bonds5

About N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride

N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride (PubChem CID 154892757) has the molecular formula C19H29Cl2N5 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
PubChem CID154892757
Molecular FormulaC19H29Cl2N5
Molecular Weight398.38 g/mol
Exact Mass397.18
IUPAC NameN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
SMILESCN(Cc1cc2n(n1)CCNC2)CC1CCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H27N5.2ClH/c1-22(15-17-11-19-12-20-8-10-24(19)21-17)13-16-7-9-23(14-16)18-5-3-2-4-6-18;;/h2-6,11,16,20H,7-10,12-15H2,1H3;2*1H
InChIKeyHFRSRBNNAOLJGN-UHFFFAOYSA-N
XLogP2.79
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine
CID 56901570
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-ethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 129415771
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 95201074
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154895925
2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83694497
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride (CID 154892757) is N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride is CN(Cc1cc2n(n1)CCNC2)CC1CCN(c2ccccc2)C1.Cl.Cl.
What is the InChIKey of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride?
The InChIKey is HFRSRBNNAOLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.2ClH/c1-22(15-17-11-19-12-20-8-10-24(19)21-17)13-16-7-9-23(14-16)18-5-3-2-4-6-18;;/h2-6,11,16,20H,7-10,12-15H2,1H3;2*1H.
What are the key properties of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride?
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride has a molecular weight of 398.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride is sourced from PubChem (CID 154892757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).