N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine

C13H21N5 — CID 122167177

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCCn1cc(CNc2ccnn2C(C)C)c(C)n1
InChIInChI=1S/C13H21N5/c1-5-17-9-12(11(4)16-17)8-14-13-6-7-15-18(13)10(2)3/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyAVUKXMLNSDFGST-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.60
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine (PubChem CID 122167177) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
PubChem CID122167177
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCCn1cc(CNc2ccnn2C(C)C)c(C)n1
InChIInChI=1S/C13H21N5/c1-5-17-9-12(11(4)16-17)8-14-13-6-7-15-18(13)10(2)3/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyAVUKXMLNSDFGST-UHFFFAOYSA-N
XLogP2.60
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine (CID 122167177) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine is CCn1cc(CNc2ccnn2C(C)C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
The InChIKey is AVUKXMLNSDFGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-17-9-12(11(4)16-17)8-14-13-6-7-15-18(13)10(2)3/h6-7,9-10,14H,5,8H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine has a molecular weight of 247.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122167177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).