N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine

C14H23N5 — CID 104731249

IUPACN'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1nccn2nccc12
InChIInChI=1S/C14H23N5/c1-12(2)18(3)10-5-4-7-15-14-13-6-8-17-19(13)11-9-16-14/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,15,16)
InChIKeyPIPDLTPGDINCIV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.26
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine

N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine (PubChem CID 104731249) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine
PubChem CID104731249
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1nccn2nccc12
InChIInChI=1S/C14H23N5/c1-12(2)18(3)10-5-4-7-15-14-13-6-8-17-19(13)11-9-16-14/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,15,16)
InChIKeyPIPDLTPGDINCIV-UHFFFAOYSA-N
XLogP2.26
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine (CID 104731249) is N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine is CC(C)N(C)CCCCNc1nccn2nccc12.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine?
The InChIKey is PIPDLTPGDINCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-12(2)18(3)10-5-4-7-15-14-13-6-8-17-19(13)11-9-16-14/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,15,16).
What are the key properties of N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine?
N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,4-diamine is sourced from PubChem (CID 104731249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).