3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine

C18H26N6 — CID 133317757

IUPAC3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(CN4CCCC4)CC3)nn2)n1
InChIInChI=1S/C18H26N6/c1-15-6-13-24(21-15)18-5-4-17(19-20-18)23-11-7-16(8-12-23)14-22-9-2-3-10-22/h4-6,13,16H,2-3,7-12,14H2,1H3
InChIKeyFPWFETBWDWZRCO-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.28
Rot. Bonds4

About 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine

3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine (PubChem CID 133317757) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
PubChem CID133317757
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(CN4CCCC4)CC3)nn2)n1
InChIInChI=1S/C18H26N6/c1-15-6-13-24(21-15)18-5-4-17(19-20-18)23-11-7-16(8-12-23)14-22-9-2-3-10-22/h4-6,13,16H,2-3,7-12,14H2,1H3
InChIKeyFPWFETBWDWZRCO-UHFFFAOYSA-N
XLogP2.28
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778272
1-[6-(3-Methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 71871109
1-Ethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1,4-diazepane
CID 71977992
N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 72144192
CID 12698877
CID 12698877
3-(Piperidin-1-yl)-6-(1h-pyrazol-1-yl)pyridazine
CID 91541237
3,6-Bis(3-methylpyrazol-1-yl)pyridazine
CID 101920869
6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 71854971
N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 84595728
6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97007910
6-(3-methylpyrazol-1-yl)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97007911
3-(3-Methylpyrazol-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
CID 133431533

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine (CID 133317757) is 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine is Cc1ccn(-c2ccc(N3CCC(CN4CCCC4)CC3)nn2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
The InChIKey is FPWFETBWDWZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-15-6-13-24(21-15)18-5-4-17(19-20-18)23-11-7-16(8-12-23)14-22-9-2-3-10-22/h4-6,13,16H,2-3,7-12,14H2,1H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine?
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine has a molecular weight of 326.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 133317757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).