N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide

C14H21N5O — CID 131921762

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
SMILESCCn1cc(CN(C)C(=O)CCCn2cccn2)cn1
InChIInChI=1S/C14H21N5O/c1-3-18-12-13(10-16-18)11-17(2)14(20)6-4-8-19-9-5-7-15-19/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3
InChIKeyRKOAFRYVGWIHKJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.54
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide (PubChem CID 131921762) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
PubChem CID131921762
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
SMILESCCn1cc(CN(C)C(=O)CCCn2cccn2)cn1
InChIInChI=1S/C14H21N5O/c1-3-18-12-13(10-16-18)11-17(2)14(20)6-4-8-19-9-5-7-15-19/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3
InChIKeyRKOAFRYVGWIHKJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide (CID 131921762) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide is CCn1cc(CN(C)C(=O)CCCn2cccn2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The InChIKey is RKOAFRYVGWIHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-18-12-13(10-16-18)11-17(2)14(20)6-4-8-19-9-5-7-15-19/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide has a molecular weight of 275.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 131921762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).