N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine

C11H21N3 — CID 6611957

IUPACN-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCCc1cc(CN(CC)CC)[nH]n1
InChIInChI=1S/C11H21N3/c1-4-7-10-8-11(13-12-10)9-14(5-2)6-3/h8H,4-7,9H2,1-3H3,(H,12,13)
InChIKeyWVTNXFOGVPAHGV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.20
Rot. Bonds6

About N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine

N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 6611957) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID6611957
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCCc1cc(CN(CC)CC)[nH]n1
InChIInChI=1S/C11H21N3/c1-4-7-10-8-11(13-12-10)9-14(5-2)6-3/h8H,4-7,9H2,1-3H3,(H,12,13)
InChIKeyWVTNXFOGVPAHGV-UHFFFAOYSA-N
XLogP2.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine (CID 6611957) is N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine is CCCc1cc(CN(CC)CC)[nH]n1.
What is the InChIKey of N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is WVTNXFOGVPAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-7-10-8-11(13-12-10)9-14(5-2)6-3/h8H,4-7,9H2,1-3H3,(H,12,13).
What are the key properties of N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 6611957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).