3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole

C11H16N4 — CID 175631434

IUPAC3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole
SMILESCC(C)c1cc([C@H](C)c2cn[nH]c2)[nH]n1
InChIInChI=1S/C11H16N4/c1-7(2)10-4-11(15-14-10)8(3)9-5-12-13-6-9/h4-8H,1-3H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyDNYKHRWNKWLYMS-MRVPVSSYSA-N
MW204.28 g/mol
LogP2.41
Rot. Bonds3

About 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole

3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole (PubChem CID 175631434) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole
PubChem CID175631434
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole
SMILESCC(C)c1cc([C@H](C)c2cn[nH]c2)[nH]n1
InChIInChI=1S/C11H16N4/c1-7(2)10-4-11(15-14-10)8(3)9-5-12-13-6-9/h4-8H,1-3H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyDNYKHRWNKWLYMS-MRVPVSSYSA-N
XLogP2.41
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole?
The IUPAC name of 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole (CID 175631434) is 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole.
What is the SMILES notation for 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole?
The canonical SMILES for 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole is CC(C)c1cc([C@H](C)c2cn[nH]c2)[nH]n1.
What is the InChIKey of 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole?
The InChIKey is DNYKHRWNKWLYMS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)10-4-11(15-14-10)8(3)9-5-12-13-6-9/h4-8H,1-3H3,(H,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole?
3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole has a molecular weight of 204.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole is sourced from PubChem (CID 175631434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).