N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine

C14H21N5O — CID 133443195

IUPACN-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1NCCCc1cnn(C)c1
InChIInChI=1S/C14H21N5O/c1-11(2)20-14-13(16-7-8-17-14)15-6-4-5-12-9-18-19(3)10-12/h7-11H,4-6H2,1-3H3,(H,15,16)
InChIKeyVCWVTEIOTZLQLH-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.04
Rot. Bonds7

About N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine

N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine (PubChem CID 133443195) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine
PubChem CID133443195
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1NCCCc1cnn(C)c1
InChIInChI=1S/C14H21N5O/c1-11(2)20-14-13(16-7-8-17-14)15-6-4-5-12-9-18-19(3)10-12/h7-11H,4-6H2,1-3H3,(H,15,16)
InChIKeyVCWVTEIOTZLQLH-UHFFFAOYSA-N
XLogP2.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 115716332
2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115716328
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
5-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]-3-nitropyridin-2-amine
CID 71969227
3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80688948
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
N-[(1-methylpiperidin-3-yl)methyl]-3-propan-2-yloxypyrazin-2-amine
CID 133470733
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-cyclopropyl-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133443246
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111121182

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine (CID 133443195) is N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine is CC(C)Oc1nccnc1NCCCc1cnn(C)c1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is VCWVTEIOTZLQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)20-14-13(16-7-8-17-14)15-6-4-5-12-9-18-19(3)10-12/h7-11H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine?
N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)propyl]-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133443195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).