4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole

C10H17N3 — CID 90729578

IUPAC4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole
SMILESCC(C)c1cn[nH]c1N1CCCC1
InChIInChI=1S/C10H17N3/c1-8(2)9-7-11-12-10(9)13-5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyNSKCHMYFPZWKBM-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.13
Rot. Bonds2

About 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole

4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole (PubChem CID 90729578) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole.

Molecular Properties

Compound Name4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole
PubChem CID90729578
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole
SMILESCC(C)c1cn[nH]c1N1CCCC1
InChIInChI=1S/C10H17N3/c1-8(2)9-7-11-12-10(9)13-5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyNSKCHMYFPZWKBM-UHFFFAOYSA-N
XLogP2.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole?
The IUPAC name of 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole (CID 90729578) is 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole.
What is the SMILES notation for 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole?
The canonical SMILES for 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole is CC(C)c1cn[nH]c1N1CCCC1.
What is the InChIKey of 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole?
The InChIKey is NSKCHMYFPZWKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)9-7-11-12-10(9)13-5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole?
4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole has a molecular weight of 179.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole is sourced from PubChem (CID 90729578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).