N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C9H15N5 — CID 103677227

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cnn(CCNC2=NCCN2)c1
InChIInChI=1S/C9H15N5/c1-8-6-13-14(7-8)5-4-12-9-10-2-3-11-9/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyMSIMCNSAYYZBFW-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.26
Rot. Bonds3

About N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 103677227) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID103677227
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cnn(CCNC2=NCCN2)c1
InChIInChI=1S/C9H15N5/c1-8-6-13-14(7-8)5-4-12-9-10-2-3-11-9/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyMSIMCNSAYYZBFW-UHFFFAOYSA-N
XLogP-0.26
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 103677227) is N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is Cc1cnn(CCNC2=NCCN2)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MSIMCNSAYYZBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-8-6-13-14(7-8)5-4-12-9-10-2-3-11-9/h6-7H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 193.25 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 103677227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).