N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C22H26N6 — CID 4885770

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(NCCCn3ccnc3)cc(C(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C22H26N6/c1-16(2)19-14-20(24-10-7-12-27-13-11-23-15-27)28-22(25-19)21(17(3)26-28)18-8-5-4-6-9-18/h4-6,8-9,11,13-16,24H,7,10,12H2,1-3H3
InChIKeyBTPIRKJWQCDSII-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.53
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4885770) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4885770
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(NCCCn3ccnc3)cc(C(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C22H26N6/c1-16(2)19-14-20(24-10-7-12-27-13-11-23-15-27)28-22(25-19)21(17(3)26-28)18-8-5-4-6-9-18/h4-6,8-9,11,13-16,24H,7,10,12H2,1-3H3
InChIKeyBTPIRKJWQCDSII-UHFFFAOYSA-N
XLogP4.53
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4885770) is N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nn2c(NCCCn3ccnc3)cc(C(C)C)nc2c1-c1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BTPIRKJWQCDSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-16(2)19-14-20(24-10-7-12-27-13-11-23-15-27)28-22(25-19)21(17(3)26-28)18-8-5-4-6-9-18/h4-6,8-9,11,13-16,24H,7,10,12H2,1-3H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4885770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).