N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine

C9H13N5 — CID 114554977

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
SMILESCCn1nccc1CNc1cn[nH]c1
InChIInChI=1S/C9H13N5/c1-2-14-9(3-4-13-14)7-10-8-5-11-12-6-8/h3-6,10H,2,7H2,1H3,(H,11,12)
InChIKeyLMEDDZGRGIOMMS-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.24
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine

N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 114554977) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
PubChem CID114554977
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
SMILESCCn1nccc1CNc1cn[nH]c1
InChIInChI=1S/C9H13N5/c1-2-14-9(3-4-13-14)7-10-8-5-11-12-6-8/h3-6,10H,2,7H2,1H3,(H,11,12)
InChIKeyLMEDDZGRGIOMMS-UHFFFAOYSA-N
XLogP1.24
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine (CID 114554977) is N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine is CCn1nccc1CNc1cn[nH]c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is LMEDDZGRGIOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-14-9(3-4-13-14)7-10-8-5-11-12-6-8/h3-6,10H,2,7H2,1H3,(H,11,12).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 191.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 114554977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).