1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine

C17H20N6 — CID 59627409

IUPAC1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
SMILESCn1nccc1-c1nnc(N2CCC(N)CC2)c2ccccc12
InChIInChI=1S/C17H20N6/c1-22-15(6-9-19-22)16-13-4-2-3-5-14(13)17(21-20-16)23-10-7-12(18)8-11-23/h2-6,9,12H,7-8,10-11,18H2,1H3
InChIKeyFEDJWFIRPKBGPE-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.96
Rot. Bonds2

About 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine

1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine (PubChem CID 59627409) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
PubChem CID59627409
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
SMILESCn1nccc1-c1nnc(N2CCC(N)CC2)c2ccccc12
InChIInChI=1S/C17H20N6/c1-22-15(6-9-19-22)16-13-4-2-3-5-14(13)17(21-20-16)23-10-7-12(18)8-11-23/h2-6,9,12H,7-8,10-11,18H2,1H3
InChIKeyFEDJWFIRPKBGPE-UHFFFAOYSA-N
XLogP1.96
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]piperidin-4-amine
CID 121298930
2-cyano-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
CID 59627396
3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
CID 59627390
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
4-cyano-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide;hydrochloride
CID 68781430
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 59627411
3-(2,4-difluorophenyl)-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
CID 86344034
4-(difluoromethoxy)-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
CID 59627413
2-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 68780122
4-chloro-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-methylsulfonylbenzamide
CID 59627400
1-[(Z)-hept-4-en-3-ylidene]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
CID 123610889
6-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 129188615

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine (CID 59627409) is 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine is Cn1nccc1-c1nnc(N2CCC(N)CC2)c2ccccc12.
What is the InChIKey of 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
The InChIKey is FEDJWFIRPKBGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-22-15(6-9-19-22)16-13-4-2-3-5-14(13)17(21-20-16)23-10-7-12(18)8-11-23/h2-6,9,12H,7-8,10-11,18H2,1H3.
What are the key properties of 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine?
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine is sourced from PubChem (CID 59627409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).