4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine

C16H16N6 — CID 118741275

IUPAC4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc(-c2[nH]ncc2-c2ccnc(N3CCCC3)n2)ccn1
InChIInChI=1S/C16H16N6/c1-2-10-22(9-1)16-18-8-5-14(20-16)13-11-19-21-15(13)12-3-6-17-7-4-12/h3-8,11H,1-2,9-10H2,(H,19,21)
InChIKeySKGDKBQRNIRPTN-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.53
Rot. Bonds3

About 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine

4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 118741275) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID118741275
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc(-c2[nH]ncc2-c2ccnc(N3CCCC3)n2)ccn1
InChIInChI=1S/C16H16N6/c1-2-10-22(9-1)16-18-8-5-14(20-16)13-11-19-21-15(13)12-3-6-17-7-4-12/h3-8,11H,1-2,9-10H2,(H,19,21)
InChIKeySKGDKBQRNIRPTN-UHFFFAOYSA-N
XLogP2.53
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 132706
CID 132706
CID 24905142
CID 24905142
CID 6539379
CID 6539379
CID 155570100
CID 155570100
CID 6918710
CID 6918710
CID 5329461
CID 5329461
CID 6539359
CID 6539359
CID 6539364
CID 6539364
CID 6539365
CID 6539365
CID 6539399
CID 6539399
CID 6539429
CID 6539429
CID 10040667
CID 10040667

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine (CID 118741275) is 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine is c1cc(-c2[nH]ncc2-c2ccnc(N3CCCC3)n2)ccn1.
What is the InChIKey of 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is SKGDKBQRNIRPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-10-22(9-1)16-18-8-5-14(20-16)13-11-19-21-15(13)12-3-6-17-7-4-12/h3-8,11H,1-2,9-10H2,(H,19,21).
What are the key properties of 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine?
4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 292.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 118741275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).