4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C14H16BrN5O — CID 126947061

IUPAC4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESBrc1cnn(C2CCN(c3ncnc4c3COCC4)C2)c1
InChIInChI=1S/C14H16BrN5O/c15-10-5-18-20(6-10)11-1-3-19(7-11)14-12-8-21-4-2-13(12)16-9-17-14/h5-6,9,11H,1-4,7-8H2
InChIKeyHTJPUKIOLFQOIK-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.96
Rot. Bonds2

About 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 126947061) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID126947061
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESBrc1cnn(C2CCN(c3ncnc4c3COCC4)C2)c1
InChIInChI=1S/C14H16BrN5O/c15-10-5-18-20(6-10)11-1-3-19(7-11)14-12-8-21-4-2-13(12)16-9-17-14/h5-6,9,11H,1-4,7-8H2
InChIKeyHTJPUKIOLFQOIK-UHFFFAOYSA-N
XLogP1.96
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 126947072
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 126946921
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 126946853
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126893157
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 126946761
2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126946939
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6-fluoro-1,3-benzoxazole
CID 126947125
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 126947061) is 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Brc1cnn(C2CCN(c3ncnc4c3COCC4)C2)c1.
What is the InChIKey of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is HTJPUKIOLFQOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c15-10-5-18-20(6-10)11-1-3-19(7-11)14-12-8-21-4-2-13(12)16-9-17-14/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 350.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 126947061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).