1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

C14H23N5 — CID 118773108

IUPAC1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCCn1ccc(CN(C)Cc2cnn(C(C)C)c2)n1
InChIInChI=1S/C14H23N5/c1-5-18-7-6-14(16-18)11-17(4)9-13-8-15-19(10-13)12(2)3/h6-8,10,12H,5,9,11H2,1-4H3
InChIKeyOHSFWASIKLUSBU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.31
Rot. Bonds6

About 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 118773108) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID118773108
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCCn1ccc(CN(C)Cc2cnn(C(C)C)c2)n1
InChIInChI=1S/C14H23N5/c1-5-18-7-6-14(16-18)11-17(4)9-13-8-15-19(10-13)12(2)3/h6-8,10,12H,5,9,11H2,1-4H3
InChIKeyOHSFWASIKLUSBU-UHFFFAOYSA-N
XLogP2.31
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 118773108) is 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is CCn1ccc(CN(C)Cc2cnn(C(C)C)c2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is OHSFWASIKLUSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-18-7-6-14(16-18)11-17(4)9-13-8-15-19(10-13)12(2)3/h6-8,10,12H,5,9,11H2,1-4H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 118773108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).