4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

C17H17N7 — CID 137417910

IUPAC4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESCn1nccc1CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H17N7/c1-24-12(4-7-21-24)10-19-15-9-17(18)22-16-8-11(2-3-13(15)16)14-5-6-20-23-14/h2-9H,10H2,1H3,(H,20,23)(H3,18,19,22)
InChIKeyLWEPTVIVXNYTCK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.55
Rot. Bonds4

About 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 137417910) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
PubChem CID137417910
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESCn1nccc1CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H17N7/c1-24-12(4-7-21-24)10-19-15-9-17(18)22-16-8-11(2-3-13(15)16)14-5-6-20-23-14/h2-9H,10H2,1H3,(H,20,23)(H3,18,19,22)
InChIKeyLWEPTVIVXNYTCK-UHFFFAOYSA-N
XLogP2.55
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 137417910) is 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is Cn1nccc1CNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The InChIKey is LWEPTVIVXNYTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-24-12(4-7-21-24)10-19-15-9-17(18)22-16-8-11(2-3-13(15)16)14-5-6-20-23-14/h2-9H,10H2,1H3,(H,20,23)(H3,18,19,22).
What are the key properties of 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 319.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 137417910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).