4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine

C10H17N5 — CID 114998919

IUPAC4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1NC1CCN(C2CC2)C1
InChIInChI=1S/C10H17N5/c11-10-9(5-12-14-10)13-7-3-4-15(6-7)8-1-2-8/h5,7-8,13H,1-4,6H2,(H3,11,12,14)
InChIKeyYKZKWVJPHXGTEG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds3

About 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine

4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine (PubChem CID 114998919) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine
PubChem CID114998919
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1NC1CCN(C2CC2)C1
InChIInChI=1S/C10H17N5/c11-10-9(5-12-14-10)13-7-3-4-15(6-7)8-1-2-8/h5,7-8,13H,1-4,6H2,(H3,11,12,14)
InChIKeyYKZKWVJPHXGTEG-UHFFFAOYSA-N
XLogP0.64
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine (CID 114998919) is 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1NC1CCN(C2CC2)C1.
What is the InChIKey of 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine?
The InChIKey is YKZKWVJPHXGTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-10-9(5-12-14-10)13-7-3-4-15(6-7)8-1-2-8/h5,7-8,13H,1-4,6H2,(H3,11,12,14).
What are the key properties of 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine?
4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpyrrolidin-3-yl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114998919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).