1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine

C15H19N7 — CID 167987109

IUPAC1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine
SMILESCn1ccc(N2CCC(NCc3c[nH]c4nccnc34)C2)n1
InChIInChI=1S/C15H19N7/c1-21-6-3-13(20-21)22-7-2-12(10-22)18-8-11-9-19-15-14(11)16-4-5-17-15/h3-6,9,12,18H,2,7-8,10H2,1H3,(H,17,19)
InChIKeyVWWOXDSTXVLEED-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.06
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine

1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine (PubChem CID 167987109) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine
PubChem CID167987109
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine
SMILESCn1ccc(N2CCC(NCc3c[nH]c4nccnc34)C2)n1
InChIInChI=1S/C15H19N7/c1-21-6-3-13(20-21)22-7-2-12(10-22)18-8-11-9-19-15-14(11)16-4-5-17-15/h3-6,9,12,18H,2,7-8,10H2,1H3,(H,17,19)
InChIKeyVWWOXDSTXVLEED-UHFFFAOYSA-N
XLogP1.06
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine (CID 167987109) is 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine is Cn1ccc(N2CCC(NCc3c[nH]c4nccnc34)C2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine?
The InChIKey is VWWOXDSTXVLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-21-6-3-13(20-21)22-7-2-12(10-22)18-8-11-9-19-15-14(11)16-4-5-17-15/h3-6,9,12,18H,2,7-8,10H2,1H3,(H,17,19).
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine?
1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine has a molecular weight of 297.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 167987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).