5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H20N6 — CID 56899654

IUPAC5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCn1cc(CNc2cc(-c3ccccc3)nc3ccnn23)cn1
InChIInChI=1S/C19H20N6/c1-2-10-24-14-15(13-22-24)12-20-19-11-17(16-6-4-3-5-7-16)23-18-8-9-21-25(18)19/h3-9,11,13-14,20H,2,10,12H2,1H3
InChIKeyRLCHURLYBKOTIT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.61
Rot. Bonds6

About 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56899654) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56899654
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCn1cc(CNc2cc(-c3ccccc3)nc3ccnn23)cn1
InChIInChI=1S/C19H20N6/c1-2-10-24-14-15(13-22-24)12-20-19-11-17(16-6-4-3-5-7-16)23-18-8-9-21-25(18)19/h3-9,11,13-14,20H,2,10,12H2,1H3
InChIKeyRLCHURLYBKOTIT-UHFFFAOYSA-N
XLogP3.61
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920
5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 70772498
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70787447
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70734186
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56904649
5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70785677
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902858
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56899654) is 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCCn1cc(CNc2cc(-c3ccccc3)nc3ccnn23)cn1.
What is the InChIKey of 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RLCHURLYBKOTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-10-24-14-15(13-22-24)12-20-19-11-17(16-6-4-3-5-7-16)23-18-8-9-21-25(18)19/h3-9,11,13-14,20H,2,10,12H2,1H3.
What are the key properties of 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56899654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).