ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine

C12H21N3 — CID 166085231

IUPACethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC.CC1=NN=C(C2=CCN(C)CC2)C1
InChIInChI=1S/C10H15N3.C2H6/c1-8-7-10(12-11-8)9-3-5-13(2)6-4-9;1-2/h3H,4-7H2,1-2H3;1-2H3
InChIKeyXCTPYSARSNQBOD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds1

About ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine

ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 166085231) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID166085231
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nameethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC.CC1=NN=C(C2=CCN(C)CC2)C1
InChIInChI=1S/C10H15N3.C2H6/c1-8-7-10(12-11-8)9-3-5-13(2)6-4-9;1-2/h3H,4-7H2,1-2H3;1-2H3
InChIKeyXCTPYSARSNQBOD-UHFFFAOYSA-N
XLogP2.50
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-enylidene]hydroxylamine
CID 14330048
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentylidene]hydroxylamine
CID 15598787
1-(2-Butyl-4-diazocyclohexa-2,5-dien-1-yl)pyrrolidine
CID 19931587
N,N-dipropyl-4,5,6,7-tetrahydro-2H-indol-5-amine
CID 23463958
5-Propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 57530991
(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
CID 58575739
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pent-4-enylidene]hydroxylamine
CID 72730027
N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
CID 76820624
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentylidene]hydroxylamine
CID 85546314
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630952
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630953
5-Methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 90326755

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine (CID 166085231) is ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine is CC.CC1=NN=C(C2=CCN(C)CC2)C1.
What is the InChIKey of ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is XCTPYSARSNQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-8-7-10(12-11-8)9-3-5-13(2)6-4-9;1-2/h3H,4-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine?
ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(5-methyl-4H-pyrazol-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166085231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).