N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium

C12H15N4Y- — CID 176600355

IUPACN-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium
SMILESCC(C)c1[c-]cc(Nc2ccn(C)n2)nc1.[Y]
InChIInChI=1S/C12H15N4.Y/c1-9(2)10-4-5-11(13-8-10)14-12-6-7-16(3)15-12;/h5-9H,1-3H3,(H,13,14,15);/q-1;
InChIKeyDFUGUMLRCFFVML-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.48
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium

N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium (PubChem CID 176600355) has the molecular formula C12H15N4Y- and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium
PubChem CID176600355
Molecular FormulaC12H15N4Y-
Molecular Weight304.19 g/mol
Exact Mass304.04
IUPAC NameN-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium
SMILESCC(C)c1[c-]cc(Nc2ccn(C)n2)nc1.[Y]
InChIInChI=1S/C12H15N4.Y/c1-9(2)10-4-5-11(13-8-10)14-12-6-7-16(3)15-12;/h5-9H,1-3H3,(H,13,14,15);/q-1;
InChIKeyDFUGUMLRCFFVML-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-N-methylpyrazol-3-amine
CID 135232912
1-(4-Ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 135232950
N-[(3E)-5-(2-fluoro-2-methylcyclopropyl)penta-1,3-dien-2-yl]-1-methylpyrazol-3-amine
CID 177342696
[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten
CID 21337557
1-Cyclohexa-1,5-dien-1-ylpyrazol-3-amine
CID 53400251
1-methyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
CID 60809792
1-(Cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine
CID 67934717
1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
CID 89178782
1-[(3Z,5Z)-5-(aminomethylidene)-6-methylhepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179233
1-[(3Z,5Z)-5-(aminomethylidene)hepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179239
2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
CID 89250424
N-[1-(2-methylidenepent-3-enyl)pyrazol-3-yl]acetamide
CID 123277902

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium (CID 176600355) is N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium is CC(C)c1[c-]cc(Nc2ccn(C)n2)nc1.[Y].
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium?
The InChIKey is DFUGUMLRCFFVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N4.Y/c1-9(2)10-4-5-11(13-8-10)14-12-6-7-16(3)15-12;/h5-9H,1-3H3,(H,13,14,15);/q-1;.
What are the key properties of N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium?
N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium has a molecular weight of 304.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-5-propan-2-yl-4H-pyridin-4-id-2-amine;yttrium is sourced from PubChem (CID 176600355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).